- InChI
- InChI=1S/C17H32O2/c1-12-10-14(8-9-15(12)19-13(2)18)17(6,7)11-16(3,4)5/h12,14-15H,8-11H2,1-7H3
- InChI Key
- VZVLBDDGOOHNPU-UHFFFAOYSA-N
- Formula
- C17H32O2
- SMILES
-
CC(=O)OC1CCC(C(C)(C)CC(C)(C)C)
CC1C - Molecular Weight1
- 268.43
- Other Names
-
- Cyclohexanol, 2-methyl-4-tert-octyl, acetate
- 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 | 0.5325 | Relay (1.0) Calculated Property | |
| ΔfG° | -126.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -664.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.817 | Crippen Calculated Property | |
| McVol | 246.970 | ml/mol | McGowan Calculated Property |
| Pc | 1449.04 | kPa | Joback Calculated Property |
| Inp | [1611.00; 1611.00] |
|
|
| Inp | 1611.00 | NIST | |
| Inp | 1611.00 | NIST | |
| Inp | 1611.00 | NIST | |
| Tboil | 558.99 | K | Relay (1.0) Calculated Property |
| Tc | 758.88 | K | Relay (1.0) Calculated Property |
| Tfus | 289.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.872 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [735.31; 854.48] | J/mol×K | [668.40; 875.03] |
|
| Cp,gas | 735.31 | J/mol×K | 668.40 | Joback Calculated Property |
| Cp,gas | 758.62 | J/mol×K | 702.84 | Joback Calculated Property |
| Cp,gas | 780.47 | J/mol×K | 737.28 | Joback Calculated Property |
| Cp,gas | 800.93 | J/mol×K | 771.71 | Joback Calculated Property |
| Cp,gas | 820.05 | J/mol×K | 806.15 | Joback Calculated Property |
| Cp,gas | 837.88 | J/mol×K | 840.59 | Joback Calculated Property |
| Cp,gas | 854.48 | J/mol×K | 875.03 | Joback Calculated Property |
| η | [0.0001198; 0.0026959] | Pa×s | [357.25; 668.40] |
|
| η | 0.0026959 | Pa×s | 357.25 | Joback Calculated Property |
| η | 0.0011548 | Pa×s | 409.11 | Joback Calculated Property |
| η | 0.0005986 | Pa×s | 460.97 | Joback Calculated Property |
| η | 0.0003544 | Pa×s | 512.83 | Joback Calculated Property |
| η | 0.0002310 | Pa×s | 564.68 | Joback Calculated Property |
| η | 0.0001618 | Pa×s | 616.54 | Joback Calculated Property |
| η | 0.0001198 | Pa×s | 668.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanol, 2-methyl-4-tert.-octyl, acetate.
Sources
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