- InChI
- InChI=1S/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+
- InChI Key
- QRGSTISKDZCDHV-XCVCLJGOSA-N
- Formula
- C12H14O2
- SMILES
- CC=C(C)C(=O)OCc1ccccc1
- Molecular Weight1
- 190.24
- CAS
- 37526-88-8
- Other Names
-
- 2-Butenoic acid, 2-methyl-, phenylmethyl ester, (E)-
- trans-2-Butenoic acid, 2-methyl-, phenylmethyl ester
- benzyl 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° | 0.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -191.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.78 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 2.696 | Crippen Calculated Property | |
| McVol | 159.320 | ml/mol | McGowan Calculated Property |
| Pc | 2668.02 | kPa | Joback Calculated Property |
| Inp | [1463.00; 1503.00] |
|
|
| Inp | 1494.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1499.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Inp | 1463.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1499.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Inp | 1498.00 | NIST | |
| I | [2075.00; 2147.00] |
|
|
| I | Outlier 2147.00 | NIST | |
| I | 2115.00 | NIST | |
| I | 2110.00 | NIST | |
| I | 2114.00 | NIST | |
| I | 2104.00 | NIST | |
| I | 2106.00 | NIST | |
| I | 2103.00 | NIST | |
| I | 2075.00 | NIST | |
| I | 2115.00 | NIST | |
| Tboil | 580.97 | K | Joback Calculated Property |
| Tc | 799.81 | K | Joback Calculated Property |
| Tfus | 304.54 | K | Joback Calculated Property |
| Vc | 0.605 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.15; 450.23] | J/mol×K | [580.97; 799.81] |
|
| Cp,gas | 374.15 | J/mol×K | 580.97 | Joback Calculated Property |
| Cp,gas | 389.04 | J/mol×K | 617.44 | Joback Calculated Property |
| Cp,gas | 402.99 | J/mol×K | 653.92 | Joback Calculated Property |
| Cp,gas | 416.04 | J/mol×K | 690.39 | Joback Calculated Property |
| Cp,gas | 428.24 | J/mol×K | 726.86 | Joback Calculated Property |
| Cp,gas | 439.62 | J/mol×K | 763.34 | Joback Calculated Property |
| Cp,gas | 450.23 | J/mol×K | 799.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzyl tiglate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.