- InChI
- InChI=1S/CHCl3/c2-1(3)4/h1H/i1D
- InChI Key
- HEDRZPFGACZZDS-MICDWDOJSA-N
- Formula
- CHCl3
- SMILES
- [2H]C(Cl)(Cl)Cl
- Molecular Weight1
- 120.38
- CAS
- 865-49-6
- Other Names
-
- (2H)chloroform
- Chloroform, deutero-
- Deuterochloroform
- Trichloromethane-d
- Trichloromethane-d1
- 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).
- 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 | 0.1169 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -160.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 26.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.986 | Crippen Calculated Property | |
| McVol | 61.670 | ml/mol | McGowan Calculated Property |
| Pc | 4980.35 | kPa | Joback Calculated Property |
| Tboil | 304.75 | K | Relay (1.0) Calculated Property |
| Tc | 577.16 | K | Relay (1.0) Calculated Property |
| Tfus | 209.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.260 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [66.60; 96.27] | 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 | 3.89700e+01 | |||
| Coefficient B | 1.25100e-01 | |||
| Coefficient C | -9.50000e-05 | |||
| Coefficient D | 2.72000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 66.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 72.54 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 77.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 81.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 85.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 88.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 91.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 93.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 94.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 96.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022572; 0.0003035] | Pa×s | [209.15; 372.70] |
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 | -1.06663e+01 | |||
| Coefficient B | 9.56380e+02 | |||
| 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. | 209.15 | |||
| Temperature range, max. | 372.70 | |||
| η | 0.0022572 | Pa×s | 209.15 | Calculated Property |
| η | 0.0015661 | Pa×s | 227.32 | Calculated Property |
| η | 0.0011470 | Pa×s | 245.50 | Calculated Property |
| η | 0.0008769 | Pa×s | 263.67 | Calculated Property |
| η | 0.0006940 | Pa×s | 281.84 | Calculated Property |
| η | 0.0005651 | Pa×s | 300.01 | Calculated Property |
| η | 0.0004710 | Pa×s | 318.19 | Calculated Property |
| η | 0.0004004 | Pa×s | 336.36 | Calculated Property |
| η | 0.0003461 | Pa×s | 354.53 | Calculated Property |
| η | 0.0003035 | Pa×s | 372.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Methane-d, trichloro-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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