- InChI
- InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m0/s1
- InChI Key
- BRLQWZUYTZBJKN-VKHMYHEASA-N
- Formula
- C3H5ClO
- SMILES
- ClC[C@H]1CO1
- Molecular Weight1
- 92.52
- CAS
- 51594-55-9
- Other Names
-
- (2R)-(chloromethyl)-oxirane
- (R)-(-)-Epichlorohydrin
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- ρl : Liquid Density (kg/m3).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -145.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.84 | kJ/mol | Joback Calculated Property |
| IE | 10.43 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.624 | Crippen Calculated Property | |
| McVol | 60.380 | ml/mol | McGowan Calculated Property |
| Tboil | 396.26 | K | Relay (1.0) Calculated Property |
| Tfus | 233.11 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 365.70 | K | 48.00 | 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 | [0.0011282; 0.0003677] | Pa×s | [198.00; 371.48] |
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. | 198.00 | |||
| Temperature range, max. | 371.48 | |||
| η | 0.0011282 | Pa×s | 198.00 | Calculated Property |
| η | 0.0009118 | Pa×s | 217.28 | Calculated Property |
| η | 0.0007629 | Pa×s | 236.55 | Calculated Property |
| η | 0.0006558 | Pa×s | 255.83 | Calculated Property |
| η | 0.0005757 | Pa×s | 275.10 | Calculated Property |
| η | 0.0005141 | Pa×s | 294.38 | Calculated Property |
| η | 0.0004656 | Pa×s | 313.65 | Calculated Property |
| η | 0.0004265 | Pa×s | 332.93 | Calculated Property |
| η | 0.0003944 | Pa×s | 352.20 | Calculated Property |
| η | 0.0003677 | Pa×s | 371.48 | Calculated Property |
Similar Compounds
Find more compounds similar to Oxirane, (chloromethyl)-, (R)-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Enthalpic changes on mixing two couples of S- and R-enantiomers of benzyl-(1-phenyl-ethyl)-amine, 1-phenylethylamine, 1-phenyl-ethanol, butyric acid oxiranylmethyl ester, 4-methyl-[1,3]dioxolan-2-one, 2-chloro-methyloxirane and 3-hydroxyisobutyric acid methyl ester at T = 298.15 K
- Joback Method
- McGowan Method
- NIST Webbook
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