- InChI
- InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
- InChI Key
- RGACABDFLVLVCT-CMDGGOBGSA-N
- Formula
- C12H14O2
- SMILES
- CC(C)OC(=O)C=Cc1ccccc1
- Molecular Weight1
- 190.24
- CAS
- 7780-06-5
- Other Names
-
- Cinnamic acid, isopropyl ester
- Isopropyl cinnamate
- Isopropylester kyseliny skoricove
- Isopropyl 3-phenylpropenoate
- 1-Methylethyl 3-phenylpropenoate
- Isopropyl 3-phenyl-2-propenoate
- 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° | 6.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -187.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.31 | kJ/mol | Joback Calculated Property |
| log10WS | -2.94 | Crippen Calculated Property | |
| logPoct/wat | 2.651 | Crippen Calculated Property | |
| McVol | 159.320 | ml/mol | McGowan Calculated Property |
| Pc | 2676.31 | kPa | Joback Calculated Property |
| Inp | [1485.00; 1485.00] |
|
|
| Inp | 1485.00 | NIST | |
| Inp | 1485.00 | NIST | |
| I | [2097.00; 2097.00] |
|
|
| I | 2097.00 | NIST | |
| I | 2097.00 | NIST | |
| Tboil | 580.65 | K | Joback Calculated Property |
| Tc | 800.23 | K | Joback Calculated Property |
| Tfus | 303.50 | K | Joback Calculated Property |
| Vc | 0.598 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.76; 451.41] | J/mol×K | [580.65; 800.23] |
|
| Cp,gas | 374.76 | J/mol×K | 580.65 | Joback Calculated Property |
| Cp,gas | 389.79 | J/mol×K | 617.25 | Joback Calculated Property |
| Cp,gas | 403.87 | J/mol×K | 653.84 | Joback Calculated Property |
| Cp,gas | 417.03 | J/mol×K | 690.44 | Joback Calculated Property |
| Cp,gas | 429.31 | J/mol×K | 727.04 | Joback Calculated Property |
| Cp,gas | 440.76 | J/mol×K | 763.63 | Joback Calculated Property |
| Cp,gas | 451.41 | J/mol×K | 800.23 | Joback Calculated Property |
| η | [0.0001469; 0.0027204] | Pa×s | [303.50; 580.65] |
|
| η | 0.0027204 | Pa×s | 303.50 | Joback Calculated Property |
| η | 0.0012128 | Pa×s | 349.69 | Joback Calculated Property |
| η | 0.0006529 | Pa×s | 395.88 | Joback Calculated Property |
| η | 0.0004000 | Pa×s | 442.07 | Joback Calculated Property |
| η | 0.0002689 | Pa×s | 488.27 | Joback Calculated Property |
| η | 0.0001936 | Pa×s | 534.46 | Joback Calculated Property |
| η | 0.0001469 | Pa×s | 580.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester.
Sources
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