- InChI
- InChI=1S/C12H14O2/c1-9(2)7-12(13)14-11-6-4-5-10(3)8-11/h4-8H,1-3H3
- InChI Key
- AFJYBJFGJIHYIP-UHFFFAOYSA-N
- Formula
- C12H14O2
- SMILES
- CC(C)=CC(=O)Oc1cccc(C)c1
- Molecular Weight1
- 190.24
- 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).
- Inp : Non-polar retention indices.
- 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° | -9.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -203.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.44 | kJ/mol | Joback Calculated Property |
| log10WS | -3.37 | Crippen Calculated Property | |
| logPoct/wat | 2.867 | Crippen Calculated Property | |
| McVol | 159.320 | ml/mol | McGowan Calculated Property |
| Pc | 2627.15 | kPa | Joback Calculated Property |
| Inp | 1464.00 | NIST | |
| Tboil | 585.95 | K | Joback Calculated Property |
| Tc | 805.80 | K | Joback Calculated Property |
| Tfus | 317.06 | K | Joback Calculated Property |
| Vc | 0.605 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.70; 448.78] | J/mol×K | [585.95; 805.80] | 
|
| Cp,gas | 373.70 | J/mol×K | 585.95 | Joback Calculated Property |
| Cp,gas | 388.31 | J/mol×K | 622.59 | Joback Calculated Property |
| Cp,gas | 402.04 | J/mol×K | 659.23 | Joback Calculated Property |
| Cp,gas | 414.91 | J/mol×K | 695.87 | Joback Calculated Property |
| Cp,gas | 426.97 | J/mol×K | 732.52 | Joback Calculated Property |
| Cp,gas | 438.25 | J/mol×K | 769.16 | Joback Calculated Property |
| Cp,gas | 448.78 | J/mol×K | 805.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylbut-2-enoic acid, 3-methylphenyl ester.
Sources
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