- InChI
- InChI=1S/C8H12/c1-4-5-6-7-8(2)3/h1,7H,5-6H2,2-3H3
- InChI Key
- UDNVVNDNOWKDGK-UHFFFAOYSA-N
- Formula
- C8H12
- SMILES
- C#CCCC=C(C)C
- Molecular Weight1
- 108.18
- CAS
- 22842-10-0
- 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).
- 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° | 311.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 190.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.30 | kJ/mol | Joback Calculated Property |
| log10WS | -2.82 | Crippen Calculated Property | |
| logPoct/wat | 2.366 | Crippen Calculated Property | |
| McVol | 110.680 | ml/mol | McGowan Calculated Property |
| Pc | 3152.62 | kPa | Joback Calculated Property |
| Tboil | 376.60 | K | Joback Calculated Property |
| Tc | 564.72 | K | Joback Calculated Property |
| Tfus | 207.85 | K | Joback Calculated Property |
| Vc | 0.426 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.43; 255.03] | J/mol×K | [376.60; 564.72] | 
|
| Cp,gas | 193.43 | J/mol×K | 376.60 | Joback Calculated Property |
| Cp,gas | 205.12 | J/mol×K | 407.95 | Joback Calculated Property |
| Cp,gas | 216.20 | J/mol×K | 439.31 | Joback Calculated Property |
| Cp,gas | 226.70 | J/mol×K | 470.66 | Joback Calculated Property |
| Cp,gas | 236.66 | J/mol×K | 502.01 | Joback Calculated Property |
| Cp,gas | 246.09 | J/mol×K | 533.36 | Joback Calculated Property |
| Cp,gas | 255.03 | J/mol×K | 564.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hepten-1-yne, 6-methyl.
Sources
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