- InChI
- InChI=1S/C9H14O2/c1-4-5-8(9(10)11)6-7(2)3/h4,8H,1-2,5-6H2,3H3,(H,10,11)
- InChI Key
- LLWNYXLAJUISMK-UHFFFAOYSA-N
- Formula
- C9H14O2
- SMILES
- C=CCC(CC(=C)C)C(=O)O
- Molecular Weight1
- 154.21
- CAS
- 93681-82-4
- 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).
- 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° | -76.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.41 | kJ/mol | Joback Calculated Property |
| log10WS | -2.15 | Crippen Calculated Property | |
| logPoct/wat | 2.229 | Crippen Calculated Property | |
| McVol | 136.510 | ml/mol | McGowan Calculated Property |
| Pc | 2986.06 | kPa | Joback Calculated Property |
| Tboil | 544.17 | K | Joback Calculated Property |
| Tc | 723.79 | K | Joback Calculated Property |
| Tfus | 269.46 | K | Joback Calculated Property |
| Vc | 0.521 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.80; 374.51] | J/mol×K | [544.17; 723.79] | 
|
| Cp,gas | 316.80 | J/mol×K | 544.17 | Joback Calculated Property |
| Cp,gas | 327.70 | J/mol×K | 574.11 | Joback Calculated Property |
| Cp,gas | 338.05 | J/mol×K | 604.04 | Joback Calculated Property |
| Cp,gas | 347.89 | J/mol×K | 633.98 | Joback Calculated Property |
| Cp,gas | 357.23 | J/mol×K | 663.92 | Joback Calculated Property |
| Cp,gas | 366.10 | J/mol×K | 693.85 | Joback Calculated Property |
| Cp,gas | 374.51 | J/mol×K | 723.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Allyl-4-methyl-4-pentenoic acid.
Sources
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