- InChI
- InChI=1S/C12H16O6/c1-6(13)16-12-4-7(15-10(12)14)9-8(5-12)17-11(2,3)18-9/h7-9H,4-5H2,1-3H3
- InChI Key
- HDESZAGGYOKPFH-UHFFFAOYSA-N
- Formula
- C12H16O6
- SMILES
-
CC(=O)OC12CC(OC1=O)C1OC(C)(C)O
C1C2 - Molecular Weight1
- 256.25
- CAS
- 14833-64-8
- 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° | -433.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -873.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.40 | kJ/mol | Joback Calculated Property |
| log10WS | -1.48 | Crippen Calculated Property | |
| logPoct/wat | 0.528 | Crippen Calculated Property | |
| McVol | 173.980 | ml/mol | McGowan Calculated Property |
| Pc | 2915.53 | kPa | Joback Calculated Property |
| Tboil | 718.82 | K | Joback Calculated Property |
| Tc | 961.19 | K | Joback Calculated Property |
| Tfus | 531.19 | K | Joback Calculated Property |
| Vc | 0.650 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [552.01; 656.01] | J/mol×K | [718.82; 961.19] | 
|
| Cp,gas | 552.01 | J/mol×K | 718.82 | Joback Calculated Property |
| Cp,gas | 569.44 | J/mol×K | 759.21 | Joback Calculated Property |
| Cp,gas | 586.47 | J/mol×K | 799.61 | Joback Calculated Property |
| Cp,gas | 603.36 | J/mol×K | 840.00 | Joback Calculated Property |
| Cp,gas | 620.39 | J/mol×K | 880.40 | Joback Calculated Property |
| Cp,gas | 637.85 | J/mol×K | 920.79 | Joback Calculated Property |
| Cp,gas | 656.01 | J/mol×K | 961.19 | Joback Calculated Property |
Similar Compounds
Sources
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