- InChI
- InChI=1S/C13H18O2/c1-13(2,3)12(14)15-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
- InChI Key
- DPVYDTACPLLHCF-UHFFFAOYSA-N
- Formula
- C13H18O2
- SMILES
- CC(C)(C)C(=O)OCCc1ccccc1
- Molecular Weight1
- 206.28
- CAS
- 67662-96-8
- Other Names
-
- Phenethyl pivalate
- 2,2-Dimethylpropionic acid, 2-phenylethyl ester
- Pivalic acid, 2-phenylethyl ester
- Phenylethyl pivalate
- Pivarose
- Centifolyl
- 2,2-Dimethylpropanoic acid, 2-phenylethyl ester
- 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° | -60.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -328.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.99 | Crippen Calculated Property | |
| logPoct/wat | 2.818 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2333.78 | kPa | Joback Calculated Property |
| Inp | [1400.00; 1400.00] |
|
|
| Inp | 1400.00 | NIST | |
| Inp | 1400.00 | NIST | |
| I | [1801.00; 1832.00] |
|
|
| I | 1801.00 | NIST | |
| I | 1801.00 | NIST | |
| I | 1832.00 | NIST | |
| Tboil | 596.58 | K | Joback Calculated Property |
| Tc | 811.41 | K | Joback Calculated Property |
| Tfus | 337.27 | K | Joback Calculated Property |
| Vc | 0.668 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.48; 531.22] | J/mol×K | [596.58; 811.41] |
|
| Cp,gas | 446.48 | J/mol×K | 596.58 | Joback Calculated Property |
| Cp,gas | 463.14 | J/mol×K | 632.38 | Joback Calculated Property |
| Cp,gas | 478.72 | J/mol×K | 668.19 | Joback Calculated Property |
| Cp,gas | 493.27 | J/mol×K | 703.99 | Joback Calculated Property |
| Cp,gas | 506.83 | J/mol×K | 739.80 | Joback Calculated Property |
| Cp,gas | 519.47 | J/mol×K | 775.60 | Joback Calculated Property |
| Cp,gas | 531.22 | J/mol×K | 811.41 | Joback Calculated Property |
| η | [0.0001498; 0.0024771] | Pa×s | [337.27; 596.58] |
|
| η | 0.0024771 | Pa×s | 337.27 | Joback Calculated Property |
| η | 0.0011900 | Pa×s | 380.49 | Joback Calculated Property |
| η | 0.0006639 | Pa×s | 423.71 | Joback Calculated Property |
| η | 0.0004127 | Pa×s | 466.92 | Joback Calculated Property |
| η | 0.0002780 | Pa×s | 510.14 | Joback Calculated Property |
| η | 0.0001992 | Pa×s | 553.36 | Joback Calculated Property |
| η | 0.0001498 | Pa×s | 596.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2,2-dimethyl-, 2-phenylethyl ester.
Sources
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