- InChI
- InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3
- InChI Key
- ICBXOVYWGIDVQO-UHFFFAOYSA-N
- Formula
- C8H12
- SMILES
- C=CCC#CCCC
- Molecular Weight1
- 108.18
- CAS
- 24612-83-7
- 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).
- 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 | 0.2014 | Relay (... Calculated Property | |
| ΔfG° | 307.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 184.97 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.26 | kJ/mol | Relay (... Calculated Property |
| IE | 9.06 | eV | Relay (... Calculated Property |
| log10WS | -2.66 | Relay (... Calculated Property | |
| logPoct/wat | 2.366 | Crippen Calculated Property | |
| McVol | 110.680 | ml/mol | McGowan Calculated Property |
| Pc | 3142.03 | kPa | Joback Calculated Property |
| Tboil | 394.08 | K | Relay (... Calculated Property |
| Tc | 568.35 | K | Relay (... Calculated Property |
| Tfus | 164.68 | K | Relay (... Calculated Property |
| Vc | 0.393 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.89; 255.16] | J/mol×K | [388.12; 579.51] | 
|
| Cp,gas | 193.89 | J/mol×K | 388.12 | Joback Calculated Property |
| Cp,gas | 205.28 | J/mol×K | 420.02 | Joback Calculated Property |
| Cp,gas | 216.17 | J/mol×K | 451.92 | Joback Calculated Property |
| Cp,gas | 226.59 | J/mol×K | 483.82 | Joback Calculated Property |
| Cp,gas | 236.55 | J/mol×K | 515.72 | Joback Calculated Property |
| Cp,gas | 246.07 | J/mol×K | 547.61 | Joback Calculated Property |
| Cp,gas | 255.16 | J/mol×K | 579.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octen-4-yne.
Sources
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