- InChI
- InChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3
- InChI Key
- SHSGYHAHMQLYRB-UHFFFAOYSA-N
- Formula
- C14H20O2
- SMILES
- CCCC(=O)OC(C)(C)Cc1ccccc1
- Molecular Weight1
- 220.31
- CAS
- 10094-34-5
- Other Names
-
- Butyric acid, «alpha»,«alpha»-dimethylphenethyl ester
- «alpha»,«alpha»-Dimethylphenethyl alcohol, butyrate
- «alpha»,«alpha»-Dimethylphenethyl butyrate
- Benzyl dimethylcarbinyl butyrate
- Benzyl dimethylcarbinyl n-butyrate
- Dimethylbenzylcarbinyl butyrate
- Dimethyl benzyl carbinyl n-butyrate
- 1,1-Dimethyl-2-phenylethyl butyrate
- 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° | -51.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -349.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.89 | kJ/mol | Joback Calculated Property |
| log10WS | -3.76 | Crippen Calculated Property | |
| logPoct/wat | 3.351 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 2131.49 | kPa | Joback Calculated Property |
| Inp | [1476.00; 1488.00] |
|
|
| Inp | 1488.00 | NIST | |
| Inp | 1476.00 | NIST | |
| I | 1889.00 | NIST | |
| Tboil | 619.46 | K | Joback Calculated Property |
| Tc | 830.73 | K | Joback Calculated Property |
| Tfus | 348.54 | K | Joback Calculated Property |
| Vc | 0.725 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.15; 584.50] | J/mol×K | [619.46; 830.73] |
|
| Cp,gas | 497.15 | J/mol×K | 619.46 | Joback Calculated Property |
| Cp,gas | 514.27 | J/mol×K | 654.67 | Joback Calculated Property |
| Cp,gas | 530.30 | J/mol×K | 689.88 | Joback Calculated Property |
| Cp,gas | 545.29 | J/mol×K | 725.10 | Joback Calculated Property |
| Cp,gas | 559.29 | J/mol×K | 760.31 | Joback Calculated Property |
| Cp,gas | 572.34 | J/mol×K | 795.52 | Joback Calculated Property |
| Cp,gas | 584.50 | J/mol×K | 830.73 | Joback Calculated Property |
| η | [0.0001334; 0.0023056] | Pa×s | [348.54; 619.46] |
|
| η | 0.0023056 | Pa×s | 348.54 | Joback Calculated Property |
| η | 0.0010920 | Pa×s | 393.69 | Joback Calculated Property |
| η | 0.0006032 | Pa×s | 438.85 | Joback Calculated Property |
| η | 0.0003722 | Pa×s | 484.00 | Joback Calculated Property |
| η | 0.0002494 | Pa×s | 529.15 | Joback Calculated Property |
| η | 0.0001780 | Pa×s | 574.31 | Joback Calculated Property |
| η | 0.0001334 | Pa×s | 619.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 1,1-dimethyl-2-phenylethyl ester.
Sources
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