- InChI
- InChI=1S/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5+
- InChI Key
- ODOZNBUSHKFCSH-FNORWQNLSA-N
- Formula
- C8H12O2
- SMILES
- C=CCOC(=O)C(C)=CC
- Molecular Weight1
- 140.18
- CAS
- 7493-71-2
- Other Names
-
- Tiglic acid, allyl ester
- Allyl tiglate
- Allyl trans-2-methyl-2-butenoate
- allyl 2-methylcrotonate
- 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.
- I : 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° | -57.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -220.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.93 | kJ/mol | Joback Calculated Property |
| log10WS | -1.74 | Crippen Calculated Property | |
| logPoct/wat | 1.682 | Crippen Calculated Property | |
| McVol | 122.420 | ml/mol | McGowan Calculated Property |
| Pc | 2950.48 | kPa | Joback Calculated Property |
| Inp | [1002.00; 1022.00] |
|
|
| Inp | 1021.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1022.00 | NIST | |
| I | 1370.00 | NIST | |
| Tboil | 459.45 | K | Joback Calculated Property |
| Tc | 650.12 | K | Joback Calculated Property |
| Tfus | 231.28 | K | Joback Calculated Property |
| Vc | 0.469 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.55; 307.55] | J/mol×K | [459.45; 650.12] |
|
| Cp,gas | 246.55 | J/mol×K | 459.45 | Joback Calculated Property |
| Cp,gas | 257.99 | J/mol×K | 491.23 | Joback Calculated Property |
| Cp,gas | 268.90 | J/mol×K | 523.01 | Joback Calculated Property |
| Cp,gas | 279.29 | J/mol×K | 554.79 | Joback Calculated Property |
| Cp,gas | 289.18 | J/mol×K | 586.56 | Joback Calculated Property |
| Cp,gas | 298.60 | J/mol×K | 618.34 | Joback Calculated Property |
| Cp,gas | 307.55 | J/mol×K | 650.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 2-methyl-, 2-propenyl ester, (E)-.
Sources
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