- InChI
- InChI=1S/C10H18/c1-9(2)7-5-6-8-10(3)4/h9-10H,7-8H2,1-4H3
- InChI Key
- KCLRHUYFDJVIFV-UHFFFAOYSA-N
- Formula
- C10H18
- SMILES
- CC(C)CC#CCC(C)C
- Molecular Weight1
- 138.25
- 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° | 231.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 12.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 3.082 | Crippen Calculated Property | |
| McVol | 143.160 | ml/mol | McGowan Calculated Property |
| Pc | 2495.01 | kPa | Joback Calculated Property |
| Inp | 930.00 | NIST | |
| Tboil | 436.32 | K | Joback Calculated Property |
| Tc | 629.38 | K | Joback Calculated Property |
| Tfus | 278.56 | K | Joback Calculated Property |
| Vc | 0.545 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.39; 370.78] | J/mol×K | [436.32; 629.38] | 
|
| Cp,gas | 288.39 | J/mol×K | 436.32 | Joback Calculated Property |
| Cp,gas | 303.69 | J/mol×K | 468.50 | Joback Calculated Property |
| Cp,gas | 318.34 | J/mol×K | 500.67 | Joback Calculated Property |
| Cp,gas | 332.36 | J/mol×K | 532.85 | Joback Calculated Property |
| Cp,gas | 345.76 | J/mol×K | 565.03 | Joback Calculated Property |
| Cp,gas | 358.56 | J/mol×K | 597.20 | Joback Calculated Property |
| Cp,gas | 370.78 | J/mol×K | 629.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-octyne, 2,7-dimethyl.
Sources
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