- InChI
- InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3
- InChI Key
- PNLQPWWBHXMFCA-UHFFFAOYSA-N
- Formula
- C3H5Cl
- SMILES
- C=C(C)Cl
- Molecular Weight1
- 76.53
- CAS
- 557-98-2
- Other Names
-
- 2-CHLOROPROPYLENE
- 2-Chloro-1-propene
- 2-Chloropropene
- 2-Chloropropene-1
- BETA-CHLOROPROPENE
- ISOPROPENYL CHLORIDE
- Propene, 2-chloro-
- UN 2456
- «beta»-Chloropropene
- «beta»-Chloropropylene
- «beta»-Chloropropene
- «beta»-Chloropropylene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 41.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -24.70 | kJ/mol | NIST |
| ΔfusH° | 5.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 26.07 | kJ/mol | Joback Calculated Property |
| log10WS | -1.58 | Crippen Calculated Property | |
| logPoct/wat | 1.759 | Crippen Calculated Property | |
| McVol | 61.070 | ml/mol | McGowan Calculated Property |
| Pc | 4468.24 | kPa | Joback Calculated Property |
| Inp | [470.00; 470.00] |
|
|
| Inp | 470.00 | NIST | |
| Inp | 470.00 | NIST | |
| Inp | 470.00 | NIST | |
| Tboil | 302.03 | K | Joback Calculated Property |
| Tc | 481.19 | K | Joback Calculated Property |
| Tfus | 135.80 ± 0.40 | K | NIST |
| Vc | 0.234 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [78.16; 105.98] | J/mol×K | [302.03; 481.19] |
|
| Cp,gas | 78.16 | J/mol×K | 302.03 | Joback Calculated Property |
| Cp,gas | 83.36 | J/mol×K | 331.89 | Joback Calculated Property |
| Cp,gas | 88.32 | J/mol×K | 361.75 | Joback Calculated Property |
| Cp,gas | 93.06 | J/mol×K | 391.61 | Joback Calculated Property |
| Cp,gas | 97.58 | J/mol×K | 421.47 | Joback Calculated Property |
| Cp,gas | 101.88 | J/mol×K | 451.33 | Joback Calculated Property |
| Cp,gas | 105.98 | J/mol×K | 481.19 | Joback Calculated Property |
| ΔvapH | 28.00 | kJ/mol | 278.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 203.53] | kPa | [213.82; 316.62] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38889e+01 | |||
| Coefficient B | -2.38388e+03 | |||
| Coefficient C | -3.85560e+01 | |||
| Temperature range, min. | 213.82 | |||
| Temperature range, max. | 316.62 | |||
| Pvap | 1.33 | kPa | 213.82 | Calculated Property |
| Pvap | 3.06 | kPa | 225.24 | Calculated Property |
| Pvap | 6.40 | kPa | 236.66 | Calculated Property |
| Pvap | 12.33 | kPa | 248.09 | Calculated Property |
| Pvap | 22.19 | kPa | 259.51 | Calculated Property |
| Pvap | 37.72 | kPa | 270.93 | Calculated Property |
| Pvap | 61.00 | kPa | 282.35 | Calculated Property |
| Pvap | 94.48 | kPa | 293.78 | Calculated Property |
| Pvap | 140.97 | kPa | 305.20 | Calculated Property |
| Pvap | 203.53 | kPa | 316.62 | Calculated Property |
| Pvap | [1.30e-04; 4592.48] | kPa | [135.75; 478.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 3.96868e+01 | |||
| Coefficient B | -4.09231e+03 | |||
| Coefficient C | -3.77471e+00 | |||
| Coefficient D | 2.60482e-06 | |||
| Temperature range, min. | 135.75 | |||
| Temperature range, max. | 478.00 | |||
| Pvap | 1.30e-04 | kPa | 135.75 | Calculated Property |
| Pvap | 0.04 | kPa | 173.78 | Calculated Property |
| Pvap | 1.31 | kPa | 211.81 | Calculated Property |
| Pvap | 13.87 | kPa | 249.83 | Calculated Property |
| Pvap | 74.60 | kPa | 287.86 | Calculated Property |
| Pvap | 260.74 | kPa | 325.89 | Calculated Property |
| Pvap | 683.64 | kPa | 363.92 | Calculated Property |
| Pvap | 1468.54 | kPa | 401.94 | Calculated Property |
| Pvap | 2735.83 | kPa | 439.97 | Calculated Property |
| Pvap | 4592.48 | kPa | 478.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 2-chloro-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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