- InChI
- InChI=1S/C6H12ClN/c1-3-8-5-6(2)4-7/h4,8H,3,5H2,1-2H3/b6-4-
- InChI Key
- QTIDSXIXLKYRNP-XQRVVYSFSA-N
- Formula
- C6H12ClN
- SMILES
- CCNCC(C)=CCl
- Molecular Weight1
- 133.62
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 148.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -22.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.81 | kJ/mol | Joback Calculated Property |
| log10WS | -2.03 | Crippen Calculated Property | |
| logPoct/wat | 1.739 | Crippen Calculated Property | |
| McVol | 113.320 | ml/mol | McGowan Calculated Property |
| Pc | 3224.64 | kPa | Joback Calculated Property |
| Inp | [954.70; 954.70] |
|
|
| Inp | 954.70 | NIST | |
| Inp | 954.70 | NIST | |
| I | [1262.90; 1262.90] |
|
|
| I | 1262.90 | NIST | |
| I | 1262.90 | NIST | |
| Tboil | 428.32 | K | Joback Calculated Property |
| Tc | 618.09 | K | Joback Calculated Property |
| Tfus | 220.92 | K | Joback Calculated Property |
| Vc | 0.436 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.26; 269.11] | J/mol×K | [428.32; 618.09] |
|
| Cp,gas | 211.26 | J/mol×K | 428.32 | Joback Calculated Property |
| Cp,gas | 222.22 | J/mol×K | 459.95 | Joback Calculated Property |
| Cp,gas | 232.62 | J/mol×K | 491.58 | Joback Calculated Property |
| Cp,gas | 242.49 | J/mol×K | 523.21 | Joback Calculated Property |
| Cp,gas | 251.84 | J/mol×K | 554.83 | Joback Calculated Property |
| Cp,gas | 260.70 | J/mol×K | 586.46 | Joback Calculated Property |
| Cp,gas | 269.11 | J/mol×K | 618.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Z-(3-Chloro-2-methyl-allyl)-ethyl-amine.
Sources
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