- InChI
- InChI=1S/C15H22O2/c1-11(2)10-17-14(16)12-6-8-13(9-7-12)15(3,4)5/h6-9,11H,10H2,1-5H3
- InChI Key
- GGLQTZOMYPPPAK-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
- CC(C)COC(=O)c1ccc(C(C)(C)C)cc1
- Molecular Weight1
- 234.33
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.6246 | Relay (... Calculated Property | |
| ΔfG° | -55.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.44 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.13 | kJ/mol | Relay (... Calculated Property |
| IE | 8.75 | eV | Relay (... Calculated Property |
| log10WS | -5.04 | Relay (... Calculated Property | |
| logPoct/wat | 3.797 | Crippen Calculated Property | |
| McVol | 205.890 | ml/mol | McGowan Calculated Property |
| Pc | 1942.37 | kPa | Joback Calculated Property |
| Inp | [1698.00; 1698.00] |
|
|
| Inp | 1698.00 | NIST | |
| Inp | 1698.00 | NIST | |
| Tboil | 561.64 | K | Relay (... Calculated Property |
| Tc | 756.00 | K | Relay (... Calculated Property |
| Tfus | 295.18 | K | Relay (... Calculated Property |
| Vc | 0.761 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.39; 639.63] | J/mol×K | [646.88; 859.76] |
|
| Cp,gas | 549.39 | J/mol×K | 646.88 | Joback Calculated Property |
| Cp,gas | 567.05 | J/mol×K | 682.36 | Joback Calculated Property |
| Cp,gas | 583.61 | J/mol×K | 717.84 | Joback Calculated Property |
| Cp,gas | 599.10 | J/mol×K | 753.32 | Joback Calculated Property |
| Cp,gas | 613.56 | J/mol×K | 788.80 | Joback Calculated Property |
| Cp,gas | 627.06 | J/mol×K | 824.28 | Joback Calculated Property |
| Cp,gas | 639.63 | J/mol×K | 859.76 | Joback Calculated Property |
| η | [0.0001084; 0.0020620] | Pa×s | [357.33; 646.88] |
|
| η | 0.0020620 | Pa×s | 357.33 | Joback Calculated Property |
| η | 0.0009423 | Pa×s | 405.59 | Joback Calculated Property |
| η | 0.0005087 | Pa×s | 453.85 | Joback Calculated Property |
| η | 0.0003092 | Pa×s | 502.11 | Joback Calculated Property |
| η | 0.0002050 | Pa×s | 550.36 | Joback Calculated Property |
| η | 0.0001453 | Pa×s | 598.62 | Joback Calculated Property |
| η | 0.0001084 | Pa×s | 646.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-tert-butyl-, isobutyl ester.
Sources
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