- InChI
- InChI=1S/C7H13Cl/c1-7(8)5-3-2-4-6-7/h2-6H2,1H3
- InChI Key
- OGYBTPYJHQSBBR-UHFFFAOYSA-N
- Formula
- C7H13Cl
- SMILES
- CC1(Cl)CCCCC1
- Molecular Weight1
- 132.63
- CAS
- 931-78-2
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- Ttriple : Triple Point Temperature (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 | 0.2318 | Relay (1.0) Calculated Property | |
| ΔfG° | 15.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -176.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -246.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 3.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.96 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.948 | Crippen Calculated Property | |
| McVol | 110.870 | ml/mol | McGowan Calculated Property |
| Pc | 3555.77 | kPa | Joback Calculated Property |
| Tboil | 394.00 ± 4.00 | K | NIST |
| Tc | 639.42 | K | Relay (1.0) Calculated Property |
| Tfus | 234.00 | K | Relay (1.0) Calculated Property |
| Ttriple | 234.52 ± 0.10 | K | NIST |
| Vc | 0.394 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 1.63 | kJ/mol | 234.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.34; 381.14] | 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 | -1.06180e+02 | |||
| Coefficient B | 1.08962e+00 | |||
| Coefficient C | -9.91000e-04 | |||
| Coefficient D | 3.88700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 125.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 172.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 212.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 245.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 273.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 297.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 319.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 339.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 359.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 381.14 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Chloro-1-methylcyclohexane.
Sources
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