- InChI
- InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3
- InChI Key
- MBZRJSQZCBXRGK-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CC(=O)OC1CCC(C(C)(C)C)CC1
- Molecular Weight1
- 198.30
- CAS
- 104-05-2
- Other Names
-
- Acetic acid p-tert-butylcyclohexyl ester
- Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate
- p-tert-Butyl cyclohexyl acetate
- Acetic acid, (4-tert-butylcyclohexyl) ester
- Cyclohexanol, 4-tert-butyl-, acetate
- Vertenex
- 4-tert-Butylcyclohexanol acetate
- 4-tert-Butylhexahydrophenyl acetate
- 4-t-Butylcyclohexyl acetate
- Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate
- NSC 163103
- 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.
- 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° | -164.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.29 | kJ/mol | Joback Calculated Property |
| log10WS | -3.23 | Crippen Calculated Property | |
| logPoct/wat | 3.154 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Pc | 2197.95 | kPa | Joback Calculated Property |
| Inp | [1322.00; 1339.00] |
|
|
| Inp | 1322.00 | NIST | |
| Inp | 1339.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Tboil | 561.90 | K | Joback Calculated Property |
| Tc | 773.24 | K | Joback Calculated Property |
| Tfus | 302.72 | K | Joback Calculated Property |
| Vc | 0.652 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [458.11; 565.28] | J/mol×K | [561.90; 773.24] |
|
| Cp,gas | 458.11 | J/mol×K | 561.90 | Joback Calculated Property |
| Cp,gas | 478.84 | J/mol×K | 597.12 | Joback Calculated Property |
| Cp,gas | 498.39 | J/mol×K | 632.35 | Joback Calculated Property |
| Cp,gas | 516.77 | J/mol×K | 667.57 | Joback Calculated Property |
| Cp,gas | 534.02 | J/mol×K | 702.79 | Joback Calculated Property |
| Cp,gas | 550.18 | J/mol×K | 738.01 | Joback Calculated Property |
| Cp,gas | 565.28 | J/mol×K | 773.24 | Joback Calculated Property |
| η | [0.0002076; 0.0039043] | Pa×s | [302.72; 561.90] |
|
| η | 0.0039043 | Pa×s | 302.72 | Joback Calculated Property |
| η | 0.0017642 | Pa×s | 345.92 | Joback Calculated Property |
| η | 0.0009509 | Pa×s | 389.11 | Joback Calculated Property |
| η | 0.0005799 | Pa×s | 432.31 | Joback Calculated Property |
| η | 0.0003869 | Pa×s | 475.51 | Joback Calculated Property |
| η | 0.0002762 | Pa×s | 518.70 | Joback Calculated Property |
| η | 0.0002076 | Pa×s | 561.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-tert-Butylcyclohexyl acetate.
Sources
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