- InChI
- InChI=1S/C7H10O6/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
- WVMWZWGZRAXUBK-UHFFFAOYSA-N
- Formula
- C7H10O6
- SMILES
- O=C1CC(O)(C(=O)O)CC(O)C1O
- Molecular Weight1
- 190.15
- 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° | -787.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1018.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.55 | kJ/mol | Joback Calculated Property |
| log10WS | 0.85 | Crippen Calculated Property | |
| logPoct/wat | -2.113 | Crippen Calculated Property | |
| McVol | 125.250 | ml/mol | McGowan Calculated Property |
| Pc | 6503.64 | kPa | Joback Calculated Property |
| Tboil | 860.42 | K | Joback Calculated Property |
| Tc | 1059.96 | K | Joback Calculated Property |
| Tfus | 552.88 | K | Joback Calculated Property |
| Vc | 0.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.04; 464.28] | J/mol×K | [860.42; 1059.96] | 
|
| Cp,gas | 413.04 | J/mol×K | 860.42 | Joback Calculated Property |
| Cp,gas | 421.81 | J/mol×K | 893.68 | Joback Calculated Property |
| Cp,gas | 430.42 | J/mol×K | 926.93 | Joback Calculated Property |
| Cp,gas | 438.92 | J/mol×K | 960.19 | Joback Calculated Property |
| Cp,gas | 447.36 | J/mol×K | 993.44 | Joback Calculated Property |
| Cp,gas | 455.79 | J/mol×K | 1026.70 | Joback Calculated Property |
| Cp,gas | 464.28 | J/mol×K | 1059.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Dehydroquinic acid.
Sources
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