- InChI
- InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)
- InChI Key
- AAWZDTNXLSGCEK-UHFFFAOYSA-N
- Formula
- C7H12O6
- SMILES
- O=C(O)C1(O)CC(O)C(O)C(O)C1
- Molecular Weight1
- 192.17
- CAS
- 470-63-3
- 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 | 0.9263 | Relay (... Calculated Property | |
| ΔfG° | -809.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1056.22 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 141.83 | kJ/mol | Relay (... Calculated Property |
| IE | 10.07 | eV | Relay (... Calculated Property |
| log10WS | 0.23 | Relay (... Calculated Property | |
| logPoct/wat | -2.321 | Crippen Calculated Property | |
| McVol | 129.550 | ml/mol | McGowan Calculated Property |
| Pc | 6762.90 | kPa | Joback Calculated Property |
| Tboil | 611.57 | K | Relay (... Calculated Property |
| Tc | 922.00 | K | Relay (... Calculated Property |
| Tfus | 432.36 | K | Relay (... Calculated Property |
| Vc | 0.483 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.63; 497.17] | J/mol×K | [880.11; 1077.73] | 
|
| Cp,gas | 442.63 | J/mol×K | 880.11 | Joback Calculated Property |
| Cp,gas | 451.59 | J/mol×K | 913.05 | Joback Calculated Property |
| Cp,gas | 460.51 | J/mol×K | 945.98 | Joback Calculated Property |
| Cp,gas | 469.45 | J/mol×K | 978.92 | Joback Calculated Property |
| Cp,gas | 478.49 | J/mol×K | 1011.86 | Joback Calculated Property |
| Cp,gas | 487.71 | J/mol×K | 1044.79 | Joback Calculated Property |
| Cp,gas | 497.17 | J/mol×K | 1077.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-.
Sources
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