- InChI
- InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8-,9+/m0/s1
- InChI Key
- OMDMTHRBGUBUCO-DTWKUNHWSA-N
- Formula
- C10H18O2
- SMILES
- CC1=CCC(C(C)(C)O)CC1O
- Molecular Weight1
- 170.25
- CAS
- 42370-41-2
- Other Names
-
- p-Menth-6-en-2,8-diol, trans
- trans-5-hydroxy-«alpha»,«alpha»,4-trimethylcyclohex-3-ene-1-methanol
- (+) 5-Hydroxy-«alpha»,«alpha»,4-trimethyl-3-cyclohexene-1-methanol (trans-sobrerol)
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | -200.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -482.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.99 | kJ/mol | Joback Calculated Property |
| log10WS | -2.27 | Crippen Calculated Property | |
| logPoct/wat | 1.475 | Crippen Calculated Property | |
| McVol | 148.340 | ml/mol | McGowan Calculated Property |
| Pc | 3149.09 | kPa | Joback Calculated Property |
| Inp | [1350.00; 1403.00] |
|
|
| Inp | 1384.00 | NIST | |
| Inp | 1382.00 | NIST | |
| Inp | Outlier 1350.00 | NIST | |
| Inp | 1386.00 | NIST | |
| Inp | 1403.00 | NIST | |
| Inp | 1389.00 | NIST | |
| Inp | 1399.00 | NIST | |
| Inp | 1399.00 | NIST | |
| Tboil | 628.35 | K | Joback Calculated Property |
| Tc | 816.99 | K | Joback Calculated Property |
| Tfus | 342.94 | K | Joback Calculated Property |
| Vc | 0.540 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [414.80; 484.62] | J/mol×K | [628.35; 816.99] |
|
| Cp,gas | 414.80 | J/mol×K | 628.35 | Joback Calculated Property |
| Cp,gas | 428.23 | J/mol×K | 659.79 | Joback Calculated Property |
| Cp,gas | 440.89 | J/mol×K | 691.23 | Joback Calculated Property |
| Cp,gas | 452.84 | J/mol×K | 722.67 | Joback Calculated Property |
| Cp,gas | 464.09 | J/mol×K | 754.11 | Joback Calculated Property |
| Cp,gas | 474.67 | J/mol×K | 785.55 | Joback Calculated Property |
| Cp,gas | 484.62 | J/mol×K | 816.99 | Joback Calculated Property |
| η | [0.0000277; 0.0132934] | Pa×s | [342.94; 628.35] |
|
| η | 0.0132934 | Pa×s | 342.94 | Joback Calculated Property |
| η | 0.0025385 | Pa×s | 390.51 | Joback Calculated Property |
| η | 0.0006945 | Pa×s | 438.08 | Joback Calculated Property |
| η | 0.0002449 | Pa×s | 485.64 | Joback Calculated Property |
| η | 0.0001040 | Pa×s | 533.21 | Joback Calculated Property |
| η | 0.0000508 | Pa×s | 580.78 | Joback Calculated Property |
| η | 0.0000277 | Pa×s | 628.35 | Joback Calculated Property |
| ΔfusH | 34.39 | kJ/mol | 404.90 | NIST |
Similar Compounds
Find more compounds similar to trans-Sobrerol.
Sources
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that the value is more than 2 standard deviations away from the
property mean.