- InChI
- InChI=1S/C9H12O2/c1-5-8(4)11-9(10)6-7(2)3/h1,6,8H,2-4H3
- InChI Key
- NDRRMESRUFTJAX-UHFFFAOYSA-N
- Formula
- C9H12O2
- SMILES
- C#CC(C)OC(=O)C=C(C)C
- 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 | 0.3779 | Relay (1.0) Calculated Property | |
| ΔfG° | 83.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.517 | Crippen Calculated Property | |
| McVol | 132.210 | ml/mol | McGowan Calculated Property |
| Pc | 3009.03 | kPa | Joback Calculated Property |
| Tboil | 432.31 | K | Relay (1.0) Calculated Property |
| Tc | 629.53 | K | Relay (1.0) Calculated Property |
| Tfus | 278.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.456 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.77; 337.23] | J/mol×K | [475.33; 677.68] | 
|
| Cp,gas | 273.77 | J/mol×K | 475.33 | Joback Calculated Property |
| Cp,gas | 285.80 | J/mol×K | 509.05 | Joback Calculated Property |
| Cp,gas | 297.22 | J/mol×K | 542.78 | Joback Calculated Property |
| Cp,gas | 308.05 | J/mol×K | 576.50 | Joback Calculated Property |
| Cp,gas | 318.32 | J/mol×K | 610.23 | Joback Calculated Property |
| Cp,gas | 328.03 | J/mol×K | 643.95 | Joback Calculated Property |
| Cp,gas | 337.23 | J/mol×K | 677.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-butenoic acid, but-3-yn-2-yl ester.
Sources
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