- InChI
- InChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3-,4+/m1/s1
- InChI Key
- XECPAIJNBXCOBO-AJSXGEPRSA-N
- Formula
- C6H8O7
- SMILES
- O=C1OC(C(O)C(=O)O)C(O)C1O
- Molecular Weight1
- 192.12
- CAS
- 2782-04-9
- Other Names
-
- D-Glucaric acid 3,6-lactone
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -2066.80 ± 3.00 | kJ/mol | NIST |
| ΔfG° | -866.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1143.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.42 | kJ/mol | Joback Calculated Property |
| log10WS | 1.57 | Crippen Calculated Property | |
| logPoct/wat | -2.921 | Crippen Calculated Property | |
| McVol | 117.030 | ml/mol | McGowan Calculated Property |
| Pc | 6774.04 | kPa | Joback Calculated Property |
| Tboil | 859.54 | K | Joback Calculated Property |
| Tc | 1056.51 | K | Joback Calculated Property |
| Tfus | 532.80 | K | Joback Calculated Property |
| Vc | 0.414 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [386.30; 413.82] | J/mol×K | [859.54; 1056.51] | 
|
| Cp,gas | 386.30 | J/mol×K | 859.54 | Joback Calculated Property |
| Cp,gas | 392.53 | J/mol×K | 892.37 | Joback Calculated Property |
| Cp,gas | 398.11 | J/mol×K | 925.20 | Joback Calculated Property |
| Cp,gas | 403.04 | J/mol×K | 958.02 | Joback Calculated Property |
| Cp,gas | 407.31 | J/mol×K | 990.85 | Joback Calculated Property |
| Cp,gas | 410.90 | J/mol×K | 1023.68 | Joback Calculated Property |
| Cp,gas | 413.82 | J/mol×K | 1056.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-glucaro-3,6-lactone.
Sources
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