- InChI
- InChI=1S/C7H13Cl3/c1-2-3-4-5-6-7(8,9)10/h2-6H2,1H3
- InChI Key
- XQFUVDNFWZHPEJ-UHFFFAOYSA-N
- Formula
- C7H13Cl3
- SMILES
- CCCCCCC(Cl)(Cl)Cl
- Molecular Weight1
- 203.54
- 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 | 0.3911 | Relay (1.0) Calculated Property | |
| ΔfG° | -24.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -231.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.327 | Crippen Calculated Property | |
| McVol | 146.210 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Inp | [1151.00; 1151.00] |
|
|
| Inp | 1151.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Tboil | 465.71 | K | Relay (1.0) Calculated Property |
| Tc | 653.23 | K | Relay (1.0) Calculated Property |
| Tfus | 205.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.544 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.73; 406.75] | 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 | 1.07250e+01 | |||
| Coefficient B | 8.15020e-01 | |||
| Coefficient C | -5.90000e-04 | |||
| Coefficient D | 1.71000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 192.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 267.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 297.45 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 323.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 345.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 363.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 380.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 394.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 406.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0059448; 0.0003236] | Pa×s | [260.83; 466.08] |
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 | -1.17351e+01 | |||
| Coefficient B | 1.72406e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 260.83 | |||
| Temperature range, max. | 466.08 | |||
| η | 0.0059448 | Pa×s | 260.83 | Calculated Property |
| η | 0.0034940 | Pa×s | 283.64 | Calculated Property |
| η | 0.0022226 | Pa×s | 306.44 | Calculated Property |
| η | 0.0015053 | Pa×s | 329.25 | Calculated Property |
| η | 0.0010723 | Pa×s | 352.05 | Calculated Property |
| η | 0.0007960 | Pa×s | 374.86 | Calculated Property |
| η | 0.0006114 | Pa×s | 397.66 | Calculated Property |
| η | 0.0004833 | Pa×s | 420.47 | Calculated Property |
| η | 0.0003914 | Pa×s | 443.28 | Calculated Property |
| η | 0.0003236 | Pa×s | 466.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 1,1,1-trichloro.
Sources
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