- InChI
- InChI=1S/C4H8Cl2/c1-4(2,6)3-5/h3H2,1-2H3
- InChI Key
- OQPNDCHKFIHPBY-UHFFFAOYSA-N
- Formula
- C4H8Cl2
- SMILES
- CC(C)(Cl)CCl
- Molecular Weight1
- 127.01
- CAS
- 594-37-6
- Other Names
-
- 1,2-Dichloroisobutane
- Isobutylene dichloride
- 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).
- 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 | 0.2482 | Relay (1.0) Calculated Property | |
| ΔfG° | -38.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -211.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.243 | Crippen Calculated Property | |
| McVol | 91.700 | ml/mol | McGowan Calculated Property |
| Pc | 3642.13 | kPa | Joback Calculated Property |
| Inp | [719.00; 733.00] |
|
|
| Inp | 720.00 | NIST | |
| Inp | 719.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 733.00 | NIST | |
| Inp | 733.00 | NIST | |
| Inp | 733.00 | NIST | |
| Inp | 720.00 | NIST | |
| Tboil | [378.65; 381.00] | K |
|
| Tboil | 379.70 | K | NIST |
| Tboil | 380.15 ± 1.00 | K | NIST |
| Tboil | 379.15 ± 1.00 | K | NIST |
| Tboil | 379.00 ± 2.00 | K | NIST |
| Tboil | 378.65 ± 2.00 | K | NIST |
| Tboil | 380.15 ± 2.00 | K | NIST |
| Tboil | 381.00 ± 2.00 | K | NIST |
| Tboil | 380.15 ± 1.50 | K | NIST |
| Tc | 599.68 | K | Relay (1.0) Calculated Property |
| Tfus | 217.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.334 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 40.40 | kJ/mol | 314.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [115.69; 243.70] | 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 | 5.61000e-01 | |||
| Coefficient B | 5.23240e-01 | |||
| Coefficient C | -4.06400e-04 | |||
| Coefficient D | 1.26300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 115.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 140.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 161.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 179.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 194.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 207.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 218.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 228.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 236.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 243.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0076660; 0.0003156] | Pa×s | [197.10; 390.30] |
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 | -1.13157e+01 | |||
| Coefficient B | 1.27026e+03 | |||
| 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. | 197.10 | |||
| Temperature range, max. | 390.30 | |||
| η | 0.0076660 | Pa×s | 197.10 | Calculated Property |
| η | 0.0040707 | Pa×s | 218.57 | Calculated Property |
| η | 0.0024207 | Pa×s | 240.03 | Calculated Property |
| η | 0.0015677 | Pa×s | 261.50 | Calculated Property |
| η | 0.0010845 | Pa×s | 282.97 | Calculated Property |
| η | 0.0007902 | Pa×s | 304.43 | Calculated Property |
| η | 0.0006003 | Pa×s | 325.90 | Calculated Property |
| η | 0.0004718 | Pa×s | 347.37 | Calculated Property |
| η | 0.0003814 | Pa×s | 368.83 | Calculated Property |
| η | 0.0003156 | Pa×s | 390.30 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [284.18; 405.05] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.32469e+01 | |||
| Coefficient B | -2.47405e+03 | |||
| Coefficient C | -9.32720e+01 | |||
| Temperature range, min. | 284.18 | |||
| Temperature range, max. | 405.05 | |||
| Pvap | 1.33 | kPa | 284.18 | Calculated Property |
| Pvap | 3.12 | kPa | 297.61 | Calculated Property |
| Pvap | 6.59 | kPa | 311.04 | Calculated Property |
| Pvap | 12.75 | kPa | 324.47 | Calculated Property |
| Pvap | 22.95 | kPa | 337.90 | Calculated Property |
| Pvap | 38.85 | kPa | 351.33 | Calculated Property |
| Pvap | 62.42 | kPa | 364.76 | Calculated Property |
| Pvap | 95.92 | kPa | 378.19 | Calculated Property |
| Pvap | 141.80 | kPa | 391.62 | Calculated Property |
| Pvap | 202.67 | kPa | 405.05 | Calculated Property |
| Pvap | [0.13; 100.76] | kPa | [247.40; 381.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48060e+01 | |||
| Coefficient B | -3.45919e+03 | |||
| Coefficient C | -4.16410e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 247.40 | |||
| Temperature range, max. | 381.00 | |||
| Pvap | 0.13 | kPa | 247.40 | Calculated Property |
| Pvap | 0.42 | kPa | 262.24 | Calculated Property |
| Pvap | 1.12 | kPa | 277.09 | Calculated Property |
| Pvap | 2.68 | kPa | 291.93 | Calculated Property |
| Pvap | 5.81 | kPa | 306.78 | Calculated Property |
| Pvap | 11.60 | kPa | 321.62 | Calculated Property |
| Pvap | 21.61 | kPa | 336.47 | Calculated Property |
| Pvap | 37.92 | kPa | 351.31 | Calculated Property |
| Pvap | 63.21 | kPa | 366.16 | Calculated Property |
| Pvap | 100.76 | kPa | 381.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-DICHLORO-2-METHYLPROPANE.
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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