- InChI
- InChI=1S/C10H12O2/c1-4-5-6-7-12-10(11)8-9(2)3/h1,5-6,8H,7H2,2-3H3
- InChI Key
- IXQNRTKWPPHICU-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- C#CC=CCOC(=O)C=C(C)C
- Molecular Weight1
- 164.20
- 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 | 0.3940 | Relay (1.0) Calculated Property | |
| ΔfG° | 174.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -110.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.685 | Crippen Calculated Property | |
| McVol | 142.000 | ml/mol | McGowan Calculated Property |
| Pc | 2844.44 | kPa | Joback Calculated Property |
| Tboil | 469.78 | K | Relay (1.0) Calculated Property |
| Tc | 676.67 | K | Relay (1.0) Calculated Property |
| Tfus | 323.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.474 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.53; 362.27] | J/mol×K | [502.81; 707.33] | 
|
| Cp,gas | 298.53 | J/mol×K | 502.81 | Joback Calculated Property |
| Cp,gas | 310.77 | J/mol×K | 536.90 | Joback Calculated Property |
| Cp,gas | 322.31 | J/mol×K | 570.98 | Joback Calculated Property |
| Cp,gas | 333.20 | J/mol×K | 605.07 | Joback Calculated Property |
| Cp,gas | 343.46 | J/mol×K | 639.16 | Joback Calculated Property |
| Cp,gas | 353.14 | J/mol×K | 673.24 | Joback Calculated Property |
| Cp,gas | 362.27 | J/mol×K | 707.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-butenoic acid, pent-2-en-4-ynyl ester.
Sources
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