- InChI
- InChI=1S/C6H9Cl/c1-4-6(7)5(2)3/h1,5-6H,2-3H3
- InChI Key
- UVURCMLRAYOFEK-UHFFFAOYSA-N
- Formula
- C6H9Cl
- SMILES
- C#CC(Cl)C(C)C
- Molecular Weight1
- 116.59
- 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.
- 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° | 205.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 98.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.15 | Crippen Calculated Property | |
| logPoct/wat | 1.883 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Pc | 3598.56 | kPa | Joback Calculated Property |
| Inp | 754.00 | NIST | |
| Tboil | 363.35 | K | Joback Calculated Property |
| Tc | 557.52 | K | Joback Calculated Property |
| Tfus | 204.27 | K | Joback Calculated Property |
| Vc | 0.370 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.09; 212.57] | J/mol×K | [363.35; 557.52] | 
|
| Cp,gas | 163.09 | J/mol×K | 363.35 | Joback Calculated Property |
| Cp,gas | 172.44 | J/mol×K | 395.71 | Joback Calculated Property |
| Cp,gas | 181.33 | J/mol×K | 428.07 | Joback Calculated Property |
| Cp,gas | 189.77 | J/mol×K | 460.43 | Joback Calculated Property |
| Cp,gas | 197.78 | J/mol×K | 492.80 | Joback Calculated Property |
| Cp,gas | 205.37 | J/mol×K | 525.16 | Joback Calculated Property |
| Cp,gas | 212.57 | J/mol×K | 557.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pentyne, 3-chloro-4-methyl.
Sources
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