- InChI
- InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2
- InChI Key
- BRLQWZUYTZBJKN-UHFFFAOYSA-N
- Formula
- C3H5ClO
- SMILES
- ClCC1CO1
- Molecular Weight1
- 92.52
- CAS
- 106-89-8
- Other Names
-
- (Chloromethyl)ethylene oxide
- (Chloromethyl)oxirane
- (DL)-«alpha»-Epichlorohydrin
- 1,2-Epoxy-3-chloropropane
- 1-Chloor-2,3-epoxy-propaan
- 1-Chlor-2,3-epoxy-propan
- 1-Chloro-2,3-Epoxypropane
- 1-Cloro-2,3-epossipropano
- 2,3-Epoxypropyl chloride
- 2-(Chloromethyl)oxirane
- 3-Chloro-1,2-epoxypropane
- 3-Chloro-1,2-propylene oxide
- 3-Chloropropene-1,2-oxide
- 3-Chloropropylene oxide
- Chloropropylene oxide
- Epichloorhydrine
- Epichlorhydrin
- Epichlorhydrine
- Epichlorohydrin
- Epichlorohydryna
- Epichlorophydrin
- Epicloridrina
- Glycerol epichlorhydrin
- Glycerol epichlorohydrin
- Glycidyl chloride
- NSC 6747
- Oxirane, 2-(chloromethyl)
- Propane, 1-chloro-2,3-epoxy-
- Rcra waste number U041
- SKEkhG
- UN 2023
- «alpha»-Epichlorohydrin
- «gamma»-Chloropropylene oxide
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2562 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔcH°liquid | [-1770.00; -1235.80] | kJ/mol |
|
| ΔcH°liquid | -1770.00 ± 0.40 | kJ/mol | NIST |
| ΔcH°liquid | -1761.64 ± 0.77 | kJ/mol | NIST |
| ΔcH°liquid | -1235.80 ± 0.85 | kJ/mol | NIST |
| ΔfH°gas | -108.00 ± 4.20 | kJ/mol | NIST |
| ΔfH°liquid | -149.00 ± 0.40 | kJ/mol | NIST |
| ΔfusH° | 13.84 | kJ/mol | Joback Calculated Property |
| IE | [10.60; 10.66] | eV |
|
| IE | 10.66 | eV | NIST |
| IE | 10.60 | eV | NIST |
| IE | 10.64 | eV | NIST |
| IE | 10.64 | eV | NIST |
| logPoct/wat | 0.624 | Crippen Calculated Property | |
| McVol | 60.380 | ml/mol | McGowan Calculated Property |
| Pc | 4900.08 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Inp | [695.00; 730.00] |
|
|
| Inp | 700.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 730.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 730.00 | NIST | |
| Ip | [1169.00; 1205.00] |
|
|
| Ip | 1169.00 | NIST | |
| Ip | 1169.00 | NIST | |
| Ip | 1205.00 | NIST | |
| Tboil | [388.35; 390.00] | K |
|
| Tboil | 389.20 | K | NIST |
| Tboil | 390.00 ± 2.00 | K | NIST |
| Tboil | 388.35 | K | NIST |
| Tboil | 389.60 ± 0.70 | K | NIST |
| Tc | 610.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tfus | [215.05; 216.05] | K |
|
| Tfus | 216.05 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 215.05 | K | NIST |
| Vc | 0.233 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [41.00; 42.90] | kJ/mol | [293.00; 323.50] |
|
| ΔvapH | 41.00 ± 4.20 | kJ/mol | 293.00 | NIST |
| ΔvapH | 42.90 | kJ/mol | 323.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [76.45; 181.63] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.98690e+01 | |||
| Coefficient B | 4.43500e-01 | |||
| Coefficient C | -3.66100e-04 | |||
| Coefficient D | 1.24100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 76.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 96.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 113.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 128.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 140.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 151.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 159.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 167.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 174.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 181.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009279; 0.0003114] | Pa×s | [215.55; 427.00] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -9.18752e+00 | |||
| Coefficient B | 4.75270e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 215.55 | |||
| Temperature range, max. | 427.00 | |||
| η | 0.0009279 | Pa×s | 215.55 | Calculated Property |
| η | 0.0007471 | Pa×s | 239.04 | Calculated Property |
| η | 0.0006253 | Pa×s | 262.54 | Calculated Property |
| η | 0.0005389 | Pa×s | 286.03 | Calculated Property |
| η | 0.0004751 | Pa×s | 309.53 | Calculated Property |
| η | 0.0004263 | Pa×s | 333.02 | Calculated Property |
| η | 0.0003880 | Pa×s | 356.52 | Calculated Property |
| η | 0.0003573 | Pa×s | 380.01 | Calculated Property |
| η | 0.0003322 | Pa×s | 403.51 | Calculated Property |
| η | 0.0003114 | Pa×s | 427.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.14; 101.40] | kPa | [256.70; 391.10] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53543e+01 | |||
| Coefficient B | -3.78201e+03 | |||
| Coefficient C | -3.88000e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 256.70 | |||
| Temperature range, max. | 391.10 | |||
| Pvap | 0.14 | kPa | 256.70 | Calculated Property |
| Pvap | 0.41 | kPa | 271.63 | Calculated Property |
| Pvap | 1.09 | kPa | 286.57 | Calculated Property |
| Pvap | 2.61 | kPa | 301.50 | Calculated Property |
| Pvap | 5.65 | kPa | 316.43 | Calculated Property |
| Pvap | 11.33 | kPa | 331.37 | Calculated Property |
| Pvap | 21.22 | kPa | 346.30 | Calculated Property |
| Pvap | 37.51 | kPa | 361.23 | Calculated Property |
| Pvap | 63.05 | kPa | 376.17 | Calculated Property |
| Pvap | 101.40 | kPa | 391.10 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.05; 0.02] | N/m | [215.95; 389.25] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 7.69084e-02 | |||
| Coefficient B | -1.36000e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 215.95 | |||
| Temperature range, max. | 389.25 | |||
| γ | 0.05 | N/m | 215.95 | Calculated Property |
| γ | 0.04 | N/m | 235.21 | Calculated Property |
| γ | 0.04 | N/m | 254.46 | Calculated Property |
| γ | 0.04 | N/m | 273.72 | Calculated Property |
| γ | 0.04 | N/m | 292.97 | Calculated Property |
| γ | 0.03 | N/m | 312.23 | Calculated Property |
| γ | 0.03 | N/m | 331.48 | Calculated Property |
| γ | 0.03 | N/m | 350.74 | Calculated Property |
| γ | 0.03 | N/m | 369.99 | Calculated Property |
| γ | 0.02 | N/m | 389.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Oxirane, (chloromethyl)-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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