- InChI
- InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h1,4H,2,5-8H2
- InChI Key
- SNTQTQGMBSQRJZ-UHFFFAOYSA-N
- Formula
- C8H12
- SMILES
- C#CCCCCC=C
- Molecular Weight1
- 108.18
- 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° | 327.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 208.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.59 | 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 | 3100.18 | kPa | Joback Calculated Property |
| Inp | 765.70 | NIST | |
| Tboil | 369.24 | K | Joback Calculated Property |
| Tc | 547.90 | K | Joback Calculated Property |
| Tfus | 225.13 | K | Joback Calculated Property |
| Vc | 0.426 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.75; 253.03] | J/mol×K | [369.24; 547.90] | 
|
| Cp,gas | 193.75 | J/mol×K | 369.24 | Joback Calculated Property |
| Cp,gas | 204.84 | J/mol×K | 399.02 | Joback Calculated Property |
| Cp,gas | 215.42 | J/mol×K | 428.79 | Joback Calculated Property |
| Cp,gas | 225.51 | J/mol×K | 458.57 | Joback Calculated Property |
| Cp,gas | 235.13 | J/mol×K | 488.34 | Joback Calculated Property |
| Cp,gas | 244.30 | J/mol×K | 518.12 | Joback Calculated Property |
| Cp,gas | 253.03 | J/mol×K | 547.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octen-7-yne.
Sources
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