- InChI
- InChI=1S/C8H12O7/c1-14-6(11)4-8(13,3-5(9)10)7(12)15-2/h13H,3-4H2,1-2H3,(H,9,10)
- InChI Key
- OMIHCBSQSYMFDP-UHFFFAOYSA-N
- Formula
- C8H12O7
- SMILES
- COC(=O)CC(O)(CC(=O)O)C(=O)OC
- Molecular Weight1
- 220.18
- Other Names
-
- (R)-3-Hydroxy-5-methoxy-3-(methoxycarbonyl)-5-oxopentanoic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- 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° | -851.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1123.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.52 | kJ/mol | Joback Calculated Property |
| log10WS | 0.63 | Crippen Calculated Property | |
| logPoct/wat | -1.072 | Crippen Calculated Property | |
| McVol | 151.770 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Inp | 1563.00 | NIST | |
| Tboil | 770.02 | K | Joback Calculated Property |
| Tc | 957.96 | K | Joback Calculated Property |
| Tfus | 498.23 | K | Joback Calculated Property |
| Vc | 0.565 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.94; 468.94] | J/mol×K | [770.02; 957.96] | 
|
| Cp,gas | 430.94 | J/mol×K | 770.02 | Joback Calculated Property |
| Cp,gas | 438.59 | J/mol×K | 801.34 | Joback Calculated Property |
| Cp,gas | 445.70 | J/mol×K | 832.67 | Joback Calculated Property |
| Cp,gas | 452.28 | J/mol×K | 863.99 | Joback Calculated Property |
| Cp,gas | 458.35 | J/mol×K | 895.31 | Joback Calculated Property |
| Cp,gas | 463.90 | J/mol×K | 926.64 | Joback Calculated Property |
| Cp,gas | 468.94 | J/mol×K | 957.96 | Joback Calculated Property |
| η | [0.0000072; 0.0004182] | Pa×s | [498.23; 770.02] |
|
| η | 0.0004182 | Pa×s | 498.23 | Joback Calculated Property |
| η | 0.0001605 | Pa×s | 543.53 | Joback Calculated Property |
| η | 0.0000714 | Pa×s | 588.83 | Joback Calculated Property |
| η | 0.0000356 | Pa×s | 634.12 | Joback Calculated Property |
| η | 0.0000195 | Pa×s | 679.42 | Joback Calculated Property |
| η | 0.0000115 | Pa×s | 724.72 | Joback Calculated Property |
| η | 0.0000072 | Pa×s | 770.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxypropane-1,2,3-tricarboxylic acid, dimethyl ester.
Sources
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