- InChI
- InChI=1S/C4H8Cl2/c1-4(2-5)3-6/h4H,2-3H2,1H3
- InChI Key
- VENSUTAUIFXSRD-UHFFFAOYSA-N
- Formula
- C4H8Cl2
- SMILES
- CC(CCl)CCl
- Molecular Weight1
- 127.01
- CAS
- 616-19-3
- Other Names
-
- 1,3-Dichloro-2-methylpropane
- 1,3-Dichloroisobutane
- ω : Acentric Factor.
- Cp,gas : Ideal gas 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).
- 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).
- IE : Ionization energy (eV).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3102 | Relay (1.0) Calculated Property | |
| ΔfG° | -43.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -194.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.100 | Crippen Calculated Property | |
| McVol | 91.700 | ml/mol | McGowan Calculated Property |
| Pc | 3594.25 | kPa | Joback Calculated Property |
| Inp | [810.00; 820.00] |
|
|
| Inp | 810.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 820.00 | NIST | |
| Tboil | 400.16 | K | Relay (1.0) Calculated Property |
| Tc | 598.94 | K | Relay (1.0) Calculated Property |
| Tfus | 199.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.326 | m3/kmol | Relay (1.0) 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 |
| 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 | 45.10 | kJ/mol | 339.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 318.20 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [306.78; 417.17] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47516e+01 | |||
| Coefficient B | -3.00016e+03 | |||
| Coefficient C | -9.93590e+01 | |||
| Temperature range, min. | 306.78 | |||
| Temperature range, max. | 417.17 | |||
| Pvap | 1.33 | kPa | 306.78 | Calculated Property |
| Pvap | 2.99 | kPa | 319.05 | Calculated Property |
| Pvap | 6.15 | kPa | 331.31 | Calculated Property |
| Pvap | 11.78 | kPa | 343.58 | Calculated Property |
| Pvap | 21.21 | kPa | 355.84 | Calculated Property |
| Pvap | 36.17 | kPa | 368.11 | Calculated Property |
| Pvap | 58.87 | kPa | 380.37 | Calculated Property |
| Pvap | 92.01 | kPa | 392.64 | Calculated Property |
| Pvap | 138.74 | kPa | 404.90 | Calculated Property |
| Pvap | 202.66 | kPa | 417.17 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,3-dichloro-2-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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