- InChI
- InChI=1S/C7H10O5/c8-3-1-7(11)2-4(5(3)9)12-6(7)10/h3-5,8-9,11H,1-2H2
- InChI Key
- QPJRIFFWEBJVFN-UHFFFAOYSA-N
- Formula
- C7H10O5
- SMILES
- O=C1OC2CC1(O)CC(O)C2O
- Molecular Weight1
- 174.15
- CAS
- 640-06-2
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -534.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -806.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.37 | kJ/mol | Joback Calculated Property |
| log10WS | 0.36 | Crippen Calculated Property | |
| logPoct/wat | -1.841 | Crippen Calculated Property | |
| McVol | 112.820 | ml/mol | McGowan Calculated Property |
| Pc | 5926.27 | kPa | Joback Calculated Property |
| Tboil | 743.79 | K | Joback Calculated Property |
| Tc | 940.53 | K | Joback Calculated Property |
| Tfus | 490.16 | K | Joback Calculated Property |
| Vc | 0.406 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.39; 422.38] | J/mol×K | [743.79; 940.53] | 
|
| Cp,gas | 368.39 | J/mol×K | 743.79 | Joback Calculated Property |
| Cp,gas | 377.78 | J/mol×K | 776.58 | Joback Calculated Property |
| Cp,gas | 386.91 | J/mol×K | 809.37 | Joback Calculated Property |
| Cp,gas | 395.86 | J/mol×K | 842.16 | Joback Calculated Property |
| Cp,gas | 404.71 | J/mol×K | 874.95 | Joback Calculated Property |
| Cp,gas | 413.52 | J/mol×K | 907.74 | Joback Calculated Property |
| Cp,gas | 422.38 | J/mol×K | 940.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid, gamma-lactone.
Sources
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