- InChI
- InChI=1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+
- InChI Key
- IQZUZPKOFSOVET-CMDGGOBGSA-N
- Formula
- C13H16O2
- SMILES
- CC(C)COC(=O)C=Cc1ccccc1
- Molecular Weight1
- 204.26
- CAS
- 122-67-8
- Other Names
-
- Cinnamic acid, isobutyl ester
- Isobutyl cinnamate
- Labdanol
- Isobutyl cinammate
- 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° | 14.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -207.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.53 | kJ/mol | Joback Calculated Property |
| log10WS | -3.01 | Crippen Calculated Property | |
| logPoct/wat | 2.899 | Crippen Calculated Property | |
| McVol | 173.410 | ml/mol | McGowan Calculated Property |
| Pc | 2429.05 | kPa | Joback Calculated Property |
| Inp | [1598.00; 1619.00] |
|
|
| Inp | 1598.00 | NIST | |
| Inp | 1601.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Inp | 1598.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Inp | 1601.00 | NIST | |
| Inp | 1598.00 | NIST | |
| I | [2230.00; 2255.00] |
|
|
| I | 2230.00 | NIST | |
| I | 2255.00 | NIST | |
| I | 2230.00 | NIST | |
| Tboil | 603.53 | K | Joback Calculated Property |
| Tc | 819.28 | K | Joback Calculated Property |
| Tfus | 314.77 | K | Joback Calculated Property |
| Vc | 0.653 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.50; 503.60] | J/mol×K | [603.53; 819.28] |
|
| Cp,gas | 423.50 | J/mol×K | 603.53 | Joback Calculated Property |
| Cp,gas | 439.17 | J/mol×K | 639.49 | Joback Calculated Property |
| Cp,gas | 453.85 | J/mol×K | 675.45 | Joback Calculated Property |
| Cp,gas | 467.59 | J/mol×K | 711.40 | Joback Calculated Property |
| Cp,gas | 480.44 | J/mol×K | 747.36 | Joback Calculated Property |
| Cp,gas | 492.43 | J/mol×K | 783.32 | Joback Calculated Property |
| Cp,gas | 503.60 | J/mol×K | 819.28 | Joback Calculated Property |
| η | [0.0001338; 0.0025937] | Pa×s | [314.77; 603.53] |
|
| η | 0.0025937 | Pa×s | 314.77 | Joback Calculated Property |
| η | 0.0011404 | Pa×s | 362.90 | Joback Calculated Property |
| η | 0.0006078 | Pa×s | 411.02 | Joback Calculated Property |
| η | 0.0003696 | Pa×s | 459.15 | Joback Calculated Property |
| η | 0.0002470 | Pa×s | 507.28 | Joback Calculated Property |
| η | 0.0001770 | Pa×s | 555.40 | Joback Calculated Property |
| η | 0.0001338 | Pa×s | 603.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester.
Sources
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