- InChI
- InChI=1S/C7H12O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-6,8-12H,1H2
- InChI Key
- VIVCRCODGMFTFY-UHFFFAOYSA-N
- Formula
- C7H12O7
- SMILES
- O=C1OC(C(O)C(O)CO)C(O)C1O
- Molecular Weight1
- 208.17
- CAS
- 89-67-8
- Other Names
-
- 3,4-dihydroxy-5-(1,2,3-trihydroxypropyl)oxolan-2-one
- D-glycero-D-gulo-heptono-1,4-lactone
- 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 | 0.9664 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -2981.90 ± 4.10 | kJ/mol | NIST |
| ΔfG° | -868.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1176.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.55 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.39 | Aq. Solubility Prediction | |
| logPoct/wat | -3.652 | Crippen Calculated Property | |
| McVol | 135.420 | ml/mol | McGowan Calculated Property |
| Pc | 6161.14 | kPa | Joback Calculated Property |
| Tboil | 641.12 | K | Relay (1.0) Calculated Property |
| Tc | 970.94 | K | Relay (1.0) Calculated Property |
| Tfus | 411.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.516 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [475.78; 504.40] | J/mol×K | [920.29; 1126.98] | 
|
| Cp,gas | 475.78 | J/mol×K | 920.29 | Joback Calculated Property |
| Cp,gas | 482.50 | J/mol×K | 954.74 | Joback Calculated Property |
| Cp,gas | 488.45 | J/mol×K | 989.19 | Joback Calculated Property |
| Cp,gas | 493.62 | J/mol×K | 1023.64 | Joback Calculated Property |
| Cp,gas | 498.01 | J/mol×K | 1058.09 | Joback Calculated Property |
| Cp,gas | 501.60 | J/mol×K | 1092.53 | Joback Calculated Property |
| Cp,gas | 504.40 | J/mol×K | 1126.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-glycero-D-gulo-Heptonic acid, «gamma»-lactone.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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