Epichlorohydrin
C3H5ClO, 92.525 g/mol. Its structure, the values that were measured, the values that were calculated, and where each one came from.
Identifiers
- Molecular formula
- C₃H₅ClO
- Molecular weight
- 92.525 g/mol
- Exact mass
- 92.002892 g/mol
- ClCC1CO1
- InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2
- BRLQWZUYTZBJKN-UHFFFAOYSA-N
Measured properties
Values somebody obtained from a sample and published. Where two sources report the same property they are both shown, in the units each used — a disagreement between them is information, and averaging it away would be inventing a number neither one gave.
- Boiling Point
- 241.7 °F at 760 mmHg (EPA, 1998)
- 117.9 °C
- 116 °C
- 242 °F
- 117.9 °C @760 [mm Hg]
- 242 °F
- Melting Point
- -54.4 to -14.1 °F (EPA, 1998)
- -25.6 °C
- -57.2 °C
- -48 °C
- -54 °F
- -25.6 °C
- -54 °F
- Flash Point
- 93 °F (EPA, 1998)
- 88 °F
- 88 °F (31 °C) (Closed cup)
- 31 °C c.c.
- 93 °F
- 93 °F
- Solubility
- 50 to 100 mg/mL at 72 °F (NTP, 1992)
- Miscible with most organic solvents
- Miscible with alcohol, ether, chloroform, trichloroethylene, carbon tetrachloride; immiscible with petroleum hydrocarbons.
- In water, 6.59X10+4 mg/L at 25 °C
- 65.9 mg/mL at 25 °C
- Solubility in water, g/100ml at 20 °C: 6
- 7%
- Density
- 1.18 to 1.801 at 68 °F (EPA, 1998)
- 1.1750 at 25 °C/4 °C
- Relative density (water = 1): 1.2
- 1.18
- 1.175 @25 °C
- 1.18
- Vapor Pressure
- 10 mmHg at 61.88 °F (EPA, 1998)
- 16.4 [mmHg]
- 16.4 mm Hg at 25 °C
- Vapor pressure, kPa at 20 °C: 1.6
- 13 mmHg
- 16.4 [mm Hg] @25 °C
- 13 mmHg
- LogP
- log Kow = 0.45
- 0.45
- 0.26
- 0.45
- Viscosity
- 0.0103 poise at 25 °C
- Refractive Index
- Index of refraction: 1.44195 at 11.6 °C/D; 1.43969 at 16 °C/D; 1.43585 at 25 °C/D
Calculated properties
Derived from the structure rather than from a sample. These are reproducible and they are not measurements: a calculated partition coefficient and a measured one can differ by a long way, and where both exist they are listed apart on purpose.
- logP
- 0.624
- Topological polar surface area
- 12.53 Ų
- H-bond donors
- 0
- H-bond acceptors
- 1
- Rotatable bonds
- 1
- Molar refractivity
- 20.46 cm³/mol
- Fraction sp³ carbons
- 1
- QED drug-likeness
- 0.3414
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 5
- Total atoms, hydrogen included
- 10
- Rings
- 1
- Aromatic rings
- 0
- Stereocentres
- 1
- Formal charge
- 0
Functional groups
Ether
Halide (C–X)
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
Other names for it
The sources also call it 2-(Chloromethyl)oxirane, Epichlorhydrin, 1-Chloro-2,3-epoxypropane, Glycidyl chloride, Epichlorhydrine, Chloromethyloxirane, Oxirane, (chloromethyl)-, Chloropropylene oxide, 2,3-Epoxypropyl chloride, Epichloorhydrine, (CHLOROMETHYL)OXIRANE, 1,2-Epoxy-3-chloropropane.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Epichlorohydrin. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
(4-Methoxyphenyl)-(3-methyl-4-(2,3-epoxypropyloxy)phenyl)-1-naphth-1-yl-methane
formed as a product
C₂₈H₂₆O₃, 410.513 g/mol.
(2,3-Epoxypropyl)phthalimide
formed as a product
C₁₁H₉NO₃, 203.197 g/mol.
1,2-Dichloroethane
used as a reactant
C₂H₄Cl₂, 98.96 g/mol.
((p-(2-Methoxyethyl)phenoxy)methyl)oxirane
formed as a product
C₁₂H₁₆O₃, 208.257 g/mol.
Where these values came from
chemistry engine
What this page does not claim
The identifiers are what the source record holds, copied rather than recomputed. Measured values are reported as their source gave them, units and all; calculated values are marked as calculated and are not measurements. Where a field is absent the page says so, because a blank cell reads as a zero and a guessed value reads as a fact.
Nothing here is a hazard assessment, a purity statement or advice about handling a sample. A flash point quoted from a safety database is a number somebody published, not a judgement by us about whether this molecule is safe for what you intend.