- InChI
- InChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3
- InChI Key
- PQBOTZNYFQWRHU-UHFFFAOYSA-N
- Formula
- C4H8Cl2
- SMILES
- CCC(Cl)CCl
- Molecular Weight1
- 127.01
- CAS
- 616-21-7
- Other Names
-
- 1,2-Butylene chloride
- 1,2-Dichlorobutane
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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 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 |
|---|---|---|---|
| ΔcH°liquid | -2533.30 ± 1.60 | kJ/mol | NIST |
| ΔfG° | -43.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -191.20 ± 1.70 | kJ/mol | NIST |
| ΔfH°liquid | [-232.20; -231.40] | kJ/mol |
|
| ΔfH°liquid | -231.40 ± 1.70 | kJ/mol | NIST |
| ΔfH°liquid | -232.20 | kJ/mol | NIST |
| ΔfusH° | 10.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.88 | kJ/mol | Joback Calculated Property |
| log10WS | -1.91 | Crippen Calculated Property | |
| logPoct/wat | 2.243 | Crippen Calculated Property | |
| McVol | 91.700 | ml/mol | McGowan Calculated Property |
| Pc | 3594.25 | kPa | Joback Calculated Property |
| Inp | [785.00; 801.00] |
|
|
| Inp | 801.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 785.00 | NIST | |
| Tboil | [387.85; 397.20] | K |
|
| Tboil | 397.20 | K | NIST |
| Tboil | 397.20 | K | NIST |
| Tboil | Outlier 387.85 | K | NIST |
| Tboil | 397.15 ± 2.00 | K | NIST |
| Tboil | 395.15 ± 2.00 | K | NIST |
| Tboil | 397.00 ± 5.00 | K | NIST |
| Tboil | 397.15 ± 2.00 | K | NIST |
| Tboil | 397.20 ± 0.50 | K | NIST |
| Tc | 551.71 | K | Joback Calculated Property |
| Tfus | 179.68 | K | Joback Calculated Property |
| Vc | 0.351 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [141.59; 182.54] | J/mol×K | [365.34; 551.71] |
|
| Cp,gas | 141.59 | J/mol×K | 365.34 | Joback Calculated Property |
| Cp,gas | 149.22 | J/mol×K | 396.40 | Joback Calculated Property |
| Cp,gas | 156.51 | J/mol×K | 427.46 | Joback Calculated Property |
| Cp,gas | 163.48 | J/mol×K | 458.52 | Joback Calculated Property |
| Cp,gas | 170.14 | J/mol×K | 489.58 | Joback Calculated Property |
| Cp,gas | 176.48 | J/mol×K | 520.65 | Joback Calculated Property |
| Cp,gas | 182.54 | J/mol×K | 551.71 | Joback Calculated Property |
| Cp,liquid | 195.60 | J/mol×K | 298.15 | NIST |
| η | [0.0003376; 0.0069129] | Pa×s | [179.68; 365.34] |
|
| η | 0.0069129 | Pa×s | 179.68 | Joback Calculated Property |
| η | 0.0028879 | Pa×s | 210.62 | Joback Calculated Property |
| η | 0.0015088 | Pa×s | 241.57 | Joback Calculated Property |
| η | 0.0009135 | Pa×s | 272.51 | Joback Calculated Property |
| η | 0.0006126 | Pa×s | 303.45 | Joback Calculated Property |
| η | 0.0004424 | Pa×s | 334.40 | Joback Calculated Property |
| η | 0.0003376 | Pa×s | 365.34 | Joback Calculated Property |
| ΔvapH | [33.90; 39.00] | kJ/mol | [323.00; 397.20] |
|
| ΔvapH | 38.10 | kJ/mol | 323.00 | NIST |
| ΔvapH | 39.00 | kJ/mol | 353.00 | NIST |
| ΔvapH | 33.90 | kJ/mol | 397.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [284.99; 422.89] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51007e+01 | |||
| Coefficient B | -3.98019e+03 | |||
| Coefficient C | -1.62960e+01 | |||
| Temperature range, min. | 284.99 | |||
| Temperature range, max. | 422.89 | |||
| Pvap | 1.33 | kPa | 284.99 | Calculated Property |
| Pvap | 2.96 | kPa | 300.31 | Calculated Property |
| Pvap | 6.07 | kPa | 315.63 | Calculated Property |
| Pvap | 11.61 | kPa | 330.96 | Calculated Property |
| Pvap | 20.88 | kPa | 346.28 | Calculated Property |
| Pvap | 35.66 | kPa | 361.60 | Calculated Property |
| Pvap | 58.20 | kPa | 376.92 | Calculated Property |
| Pvap | 91.25 | kPa | 392.25 | Calculated Property |
| Pvap | 138.13 | kPa | 407.57 | Calculated Property |
| Pvap | 202.67 | kPa | 422.89 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1,2-dichloro-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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