- InChI
- InChI=1S/C8H14/c1-4-6-8(3)7-5-2/h1,8H,5-7H2,2-3H3
- InChI Key
- NAEDVTISSJCXKF-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- C#CCC(C)CCC
- Molecular Weight1
- 110.20
- 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° | 237.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 78.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.87 | kJ/mol | Joback Calculated Property |
| log10WS | -2.72 | Crippen Calculated Property | |
| logPoct/wat | 2.446 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 2986.06 | kPa | Joback Calculated Property |
| Inp | 750.00 | NIST | |
| Tboil | 372.12 | K | Joback Calculated Property |
| Tc | 551.24 | K | Joback Calculated Property |
| Tfus | 211.89 | K | Joback Calculated Property |
| Vc | 0.440 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.61; 272.59] | J/mol×K | [372.12; 551.24] | 
|
| Cp,gas | 207.61 | J/mol×K | 372.12 | Joback Calculated Property |
| Cp,gas | 219.67 | J/mol×K | 401.97 | Joback Calculated Property |
| Cp,gas | 231.21 | J/mol×K | 431.83 | Joback Calculated Property |
| Cp,gas | 242.26 | J/mol×K | 461.68 | Joback Calculated Property |
| Cp,gas | 252.83 | J/mol×K | 491.54 | Joback Calculated Property |
| Cp,gas | 262.93 | J/mol×K | 521.39 | Joback Calculated Property |
| Cp,gas | 272.59 | J/mol×K | 551.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptyne, 4-methyl.
Sources
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