- InChI
- InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h1,5,7H,4,6,8H2,2H3/b7-5+
- InChI Key
- FCNAWUZWKZOHKE-FNORWQNLSA-N
- Formula
- C8H12
- SMILES
- C#CC=CCCCC
- Molecular Weight1
- 108.18
- CAS
- 42104-42-7
- Other Names
-
- (E)-n-C4H9CH=CHC«equiv»CH
- 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 |
|---|---|---|---|
| ΔfG° | 319.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 200.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.22 | kJ/mol | Joback Calculated Property |
| IE | 8.87 ± 0.01 | eV | NIST |
| log10WS | -2.82 | Crippen Calculated Property | |
| logPoct/wat | 2.366 | Crippen Calculated Property | |
| McVol | 110.680 | ml/mol | McGowan Calculated Property |
| Pc | 3135.00 | kPa | Joback Calculated Property |
| Tboil | 376.72 | K | Joback Calculated Property |
| Tc | 561.02 | K | Joback Calculated Property |
| Tfus | 221.81 | K | Joback Calculated Property |
| Vc | 0.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.43; 254.14] | J/mol×K | [376.72; 561.02] | 
|
| Cp,gas | 193.43 | J/mol×K | 376.72 | Joback Calculated Property |
| Cp,gas | 204.91 | J/mol×K | 407.44 | Joback Calculated Property |
| Cp,gas | 215.82 | J/mol×K | 438.15 | Joback Calculated Property |
| Cp,gas | 226.17 | J/mol×K | 468.87 | Joback Calculated Property |
| Cp,gas | 235.99 | J/mol×K | 499.59 | Joback Calculated Property |
| Cp,gas | 245.30 | J/mol×K | 530.30 | Joback Calculated Property |
| Cp,gas | 254.14 | J/mol×K | 561.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octen-1-yne, (E)-.
Sources
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