- InChI
- InChI=1S/C9H18O/c1-7(2)8-5-3-4-6-9(8)10/h7-10H,3-6H2,1-2H3/t8-,9+/m0/s1
- InChI Key
- IXVGVVQGNQZQGD-BDAKNGLRSA-N
- Formula
- C9H18O
- SMILES
- CC(C)[C@@H]1CCCC[C@H]1O
- Molecular Weight1
- 142.24
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4568 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -331.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.194 | Crippen Calculated Property | |
| McVol | 132.680 | ml/mol | McGowan Calculated Property |
| Pc | 3052.41 | kPa | Joback Calculated Property |
| Inp | [1123.00; 1123.00] |
|
|
| Inp | 1123.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Tboil | 475.79 | K | Relay (1.0) Calculated Property |
| Tc | 702.68 | K | Relay (1.0) Calculated Property |
| Tfus | 298.33 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.74; 494.59] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.13500e+01 | |||
| Coefficient B | 9.94340e-01 | |||
| Coefficient C | -5.25000e-04 | |||
| Coefficient D | 8.66000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 172.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 228.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 278.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 323.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 363.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 398.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 428.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 454.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 476.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 494.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0730257; 0.0001879] | Pa×s | [240.15; 493.01] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.42425e+01 | |||
| Coefficient B | 2.79187e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 240.15 | |||
| Temperature range, max. | 493.01 | |||
| η | 0.0730257 | Pa×s | 240.15 | Calculated Property |
| η | 0.0216107 | Pa×s | 268.25 | Calculated Property |
| η | 0.0080562 | Pa×s | 296.34 | Calculated Property |
| η | 0.0035630 | Pa×s | 324.44 | Calculated Property |
| η | 0.0017946 | Pa×s | 352.53 | Calculated Property |
| η | 0.0010002 | Pa×s | 380.63 | Calculated Property |
| η | 0.0006041 | Pa×s | 408.72 | Calculated Property |
| η | 0.0003893 | Pa×s | 436.82 | Calculated Property |
| η | 0.0002646 | Pa×s | 464.91 | Calculated Property |
| η | 0.0001879 | Pa×s | 493.01 | Calculated Property |
Similar Compounds
Find more compounds similar to trans-2-Isopropylcyclohexanol.
Sources
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