- InChI
- InChI=1S/C6H6O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-4,7-8H
- InChI Key
- QRFNDAVXJCGLFB-UHFFFAOYSA-N
- Formula
- C6H6O6
- SMILES
- O=C1OC2C(O)C(=O)OC2C1O
- Molecular Weight1
- 174.11
- CAS
- 2900-01-8
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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 | 0.6557 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -2153.40 ± 2.60 | kJ/mol | NIST |
| ΔfG° | -609.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1001.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | -2.441 | Crippen Calculated Property | |
| McVol | 100.300 | ml/mol | McGowan Calculated Property |
| Pc | 5791.74 | kPa | Joback Calculated Property |
| Tboil | 537.77 | K | Relay (1.0) Calculated Property |
| Tc | 865.81 | K | Relay (1.0) Calculated Property |
| Tfus | 428.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.412 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.26; 371.03] | J/mol×K | [723.26; 935.55] | 
|
| Cp,gas | 324.26 | J/mol×K | 723.26 | Joback Calculated Property |
| Cp,gas | 333.81 | J/mol×K | 758.64 | Joback Calculated Property |
| Cp,gas | 342.69 | J/mol×K | 794.02 | Joback Calculated Property |
| Cp,gas | 350.87 | J/mol×K | 829.41 | Joback Calculated Property |
| Cp,gas | 358.34 | J/mol×K | 864.79 | Joback Calculated Property |
| Cp,gas | 365.06 | J/mol×K | 900.17 | Joback Calculated Property |
| Cp,gas | 371.03 | J/mol×K | 935.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Mannaric acid, 1,4:3,6-dilactone.
Sources
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