- InChI
- InChI=1S/C9H12O2/c1-3-5-6-8-11-9(10)7-4-2/h1,5-6H,4,7-8H2,2H3
- InChI Key
- UTBJMMZGNZOAAW-UHFFFAOYSA-N
- Formula
- C9H12O2
- SMILES
- C#CC=CCOC(=O)CCC
- Molecular Weight1
- 152.19
- 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 | 0.3958 | Relay (1.0) Calculated Property | |
| ΔfG° | 94.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -164.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.519 | Crippen Calculated Property | |
| McVol | 132.210 | ml/mol | McGowan Calculated Property |
| Pc | 2966.57 | kPa | Joback Calculated Property |
| Tboil | 446.91 | K | Relay (1.0) Calculated Property |
| Tc | 641.23 | K | Relay (1.0) Calculated Property |
| Tfus | 268.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.452 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.67; 334.72] | J/mol×K | [475.89; 670.01] | 
|
| Cp,gas | 273.67 | J/mol×K | 475.89 | Joback Calculated Property |
| Cp,gas | 285.17 | J/mol×K | 508.24 | Joback Calculated Property |
| Cp,gas | 296.12 | J/mol×K | 540.60 | Joback Calculated Property |
| Cp,gas | 306.53 | J/mol×K | 572.95 | Joback Calculated Property |
| Cp,gas | 316.42 | J/mol×K | 605.31 | Joback Calculated Property |
| Cp,gas | 325.81 | J/mol×K | 637.66 | Joback Calculated Property |
| Cp,gas | 334.72 | J/mol×K | 670.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, pent-2-en-4-ynyl ester.
Sources
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