- InChI
- InChI=1S/C12H24O3/c1-10(2)7(13)11(3,4)9(15)12(5,6)8(10)14/h7-9,13-15H,1-6H3
- InChI Key
- SZRCMASKMMAGLQ-UHFFFAOYSA-N
- Formula
- C12H24O3
- SMILES
-
CC1(C)C(O)C(C)(C)C(O)C(C)(C)C1
O - Molecular Weight1
- 216.32
- CAS
- 24413-59-0
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.6418 | Relay (1.0) Calculated Property | |
| ΔfG° | -390.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -638.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.161 | Crippen Calculated Property | |
| McVol | 186.690 | ml/mol | McGowan Calculated Property |
| Pc | 2715.50 | kPa | Joback Calculated Property |
| Tboil | 533.47 | K | Relay (1.0) Calculated Property |
| Tc | 788.93 | K | Relay (1.0) Calculated Property |
| Tfus | 434.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.689 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.15; 694.85] | J/mol×K | [747.42; 933.31] | 
|
| Cp,gas | 600.15 | J/mol×K | 747.42 | Joback Calculated Property |
| Cp,gas | 615.22 | J/mol×K | 778.40 | Joback Calculated Property |
| Cp,gas | 630.35 | J/mol×K | 809.38 | Joback Calculated Property |
| Cp,gas | 645.72 | J/mol×K | 840.36 | Joback Calculated Property |
| Cp,gas | 661.48 | J/mol×K | 871.35 | Joback Calculated Property |
| Cp,gas | 677.80 | J/mol×K | 902.33 | Joback Calculated Property |
| Cp,gas | 694.85 | J/mol×K | 933.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Cyclohexanetriol, 2,2,4,4,6,6-hexamethyl-.
Sources
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