- InChI
- InChI=1S/C6H12ClN/c1-4-8(3)6(2)5-7/h5H,4H2,1-3H3/b6-5+
- InChI Key
- IDRWMSWDAZAIFQ-AATRIKPKSA-N
- Formula
- C6H12ClN
- SMILES
- CCN(C)C(C)=CCl
- Molecular Weight1
- 133.62
- 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).
- 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.
- I : 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 | 0.3206 | Relay (1.0) Calculated Property | |
| ΔfG° | 170.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -50.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.038 | Crippen Calculated Property | |
| McVol | 113.320 | ml/mol | McGowan Calculated Property |
| Pc | 3170.40 | kPa | Joback Calculated Property |
| Inp | 874.90 | NIST | |
| I | 1052.50 | NIST | |
| Tboil | 443.32 | K | Relay (1.0) Calculated Property |
| Tc | 618.41 | K | Relay (1.0) Calculated Property |
| Tfus | 225.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.402 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.42; 259.19] | J/mol×K | [390.59; 574.04] | 
|
| Cp,gas | 198.42 | J/mol×K | 390.59 | Joback Calculated Property |
| Cp,gas | 209.98 | J/mol×K | 421.16 | Joback Calculated Property |
| Cp,gas | 220.93 | J/mol×K | 451.74 | Joback Calculated Property |
| Cp,gas | 231.30 | J/mol×K | 482.31 | Joback Calculated Property |
| Cp,gas | 241.11 | J/mol×K | 512.89 | Joback Calculated Property |
| Cp,gas | 250.40 | J/mol×K | 543.46 | Joback Calculated Property |
| Cp,gas | 259.19 | J/mol×K | 574.04 | Joback Calculated Property |
Similar Compounds
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Sources
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