- InChI
- InChI=1S/C4H7Cl3/c1-4(2,7)3(5)6/h3H,1-2H3
- InChI Key
- FRRHZKFKOHHEJR-UHFFFAOYSA-N
- Formula
- C4H7Cl3
- SMILES
- CC(C)(Cl)C(Cl)Cl
- Molecular Weight1
- 161.46
- 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).
- 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).
- 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 | 0.2636 | Relay (1.0) Calculated Property | |
| ΔfG° | -52.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -209.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.807 | Crippen Calculated Property | |
| McVol | 103.940 | ml/mol | McGowan Calculated Property |
| Pc | 3517.91 | kPa | Joback Calculated Property |
| Inp | [869.00; 869.00] |
|
|
| Inp | 869.00 | NIST | |
| Inp | 869.00 | NIST | |
| Tboil | 407.90 | K | Relay (1.0) Calculated Property |
| Tc | 633.93 | K | Relay (1.0) Calculated Property |
| Tfus | 275.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.374 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [128.78; 252.51] | 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 | 1.17700e+01 | |||
| Coefficient B | 5.35940e-01 | |||
| Coefficient C | -4.30000e-04 | |||
| Coefficient D | 1.34800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 128.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 153.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 174.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 192.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 207.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 219.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 229.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 238.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 245.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 252.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0108227; 0.0003256] | Pa×s | [212.02; 425.87] |
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 | -1.15037e+01 | |||
| Coefficient B | 1.47940e+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. | 212.02 | |||
| Temperature range, max. | 425.87 | |||
| η | 0.0108227 | Pa×s | 212.02 | Calculated Property |
| η | 0.0053573 | Pa×s | 235.78 | Calculated Property |
| η | 0.0030163 | Pa×s | 259.54 | Calculated Property |
| η | 0.0018700 | Pa×s | 283.30 | Calculated Property |
| η | 0.0012484 | Pa×s | 307.07 | Calculated Property |
| η | 0.0008832 | Pa×s | 330.83 | Calculated Property |
| η | 0.0006545 | Pa×s | 354.59 | Calculated Property |
| η | 0.0005037 | Pa×s | 378.35 | Calculated Property |
| η | 0.0003998 | Pa×s | 402.11 | Calculated Property |
| η | 0.0003256 | Pa×s | 425.87 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,2-TRICHLORO-2-METHYLPROPANE.
Sources
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