- InChI
- InChI=1S/C6H9Cl/c1-3-4-5-6(2)7/h6H,3H2,1-2H3
- InChI Key
- HADUPHFLEHBFLA-UHFFFAOYSA-N
- Formula
- C6H9Cl
- SMILES
- CCC#CC(C)Cl
- Molecular Weight1
- 116.59
- 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.
- 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 | 0.1977 | Relay (1.0) Calculated Property | |
| ΔfG° | 188.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 83.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.027 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Pc | 3615.89 | kPa | Joback Calculated Property |
| Inp | [834.00; 834.00] |
|
|
| Inp | 834.00 | NIST | |
| Inp | 834.00 | NIST | |
| Tboil | 394.36 | K | Relay (1.0) Calculated Property |
| Tc | 567.84 | K | Relay (1.0) Calculated Property |
| Tfus | 187.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.353 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.73; 211.32] | J/mol×K | [382.67; 585.85] |
|
| Cp,gas | 161.73 | J/mol×K | 382.67 | Joback Calculated Property |
| Cp,gas | 170.95 | J/mol×K | 416.53 | Joback Calculated Property |
| Cp,gas | 179.78 | J/mol×K | 450.40 | Joback Calculated Property |
| Cp,gas | 188.22 | J/mol×K | 484.26 | Joback Calculated Property |
| Cp,gas | 196.28 | J/mol×K | 518.12 | Joback Calculated Property |
| Cp,gas | 203.98 | J/mol×K | 551.99 | Joback Calculated Property |
| Cp,gas | 211.32 | J/mol×K | 585.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexyne, 2-chloro.
Sources
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