- InChI
- InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6+
- InChI Key
- FOCMOGKCPPTERB-RMKNXTFCSA-N
- Formula
- C14H18O2
- SMILES
- CC(C)CC(=O)OCC=Cc1ccccc1
- Molecular Weight1
- 218.29
- CAS
- 140-27-2
- Other Names
-
- Isovaleric acid, cinnamyl ester
- Cinnamyl isovalerate
- 3-Phenylallyl isovalerate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 23.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -228.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.76 | kJ/mol | Joback Calculated Property |
| log10WS | -3.43 | Crippen Calculated Property | |
| logPoct/wat | 3.289 | Crippen Calculated Property | |
| McVol | 187.500 | ml/mol | McGowan Calculated Property |
| Pc | 2214.53 | kPa | Joback Calculated Property |
| Inp | [1655.00; 1670.00] |
|
|
| Inp | 1663.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1655.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1655.00 | NIST | |
| I | [2271.00; 2329.00] |
|
|
| I | 2289.00 | NIST | |
| I | 2271.00 | NIST | |
| I | Outlier 2329.00 | NIST | |
| I | 2289.00 | NIST | |
| I | 2271.00 | NIST | |
| I | 2289.00 | NIST | |
| Tboil | 626.41 | K | Joback Calculated Property |
| Tc | 838.56 | K | Joback Calculated Property |
| Tfus | 326.04 | K | Joback Calculated Property |
| Vc | 0.710 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.76; 556.80] | J/mol×K | [626.41; 838.56] |
|
| Cp,gas | 473.76 | J/mol×K | 626.41 | Joback Calculated Property |
| Cp,gas | 489.96 | J/mol×K | 661.77 | Joback Calculated Property |
| Cp,gas | 505.16 | J/mol×K | 697.13 | Joback Calculated Property |
| Cp,gas | 519.40 | J/mol×K | 732.49 | Joback Calculated Property |
| Cp,gas | 532.72 | J/mol×K | 767.84 | Joback Calculated Property |
| Cp,gas | 545.17 | J/mol×K | 803.20 | Joback Calculated Property |
| Cp,gas | 556.80 | J/mol×K | 838.56 | Joback Calculated Property |
| η | [0.0001210; 0.0024476] | Pa×s | [326.04; 626.41] |
|
| η | 0.0024476 | Pa×s | 326.04 | Joback Calculated Property |
| η | 0.0010623 | Pa×s | 376.10 | Joback Calculated Property |
| η | 0.0005610 | Pa×s | 426.16 | Joback Calculated Property |
| η | 0.0003388 | Pa×s | 476.23 | Joback Calculated Property |
| η | 0.0002252 | Pa×s | 526.29 | Joback Calculated Property |
| η | 0.0001607 | Pa×s | 576.35 | Joback Calculated Property |
| η | 0.0001210 | Pa×s | 626.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.