- InChI
- InChI=1S/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3
- InChI Key
- HDDLVZWGOPWKFW-UHFFFAOYSA-N
- Formula
- C9H14O7
- SMILES
- COC(=O)CC(O)(CC(=O)OC)C(=O)OC
- Molecular Weight1
- 234.20
- CAS
- 1587-20-8
- Other Names
-
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trimethyl ester
- Trimethyl citrate
- 3-Hydroxy-3-methoxycarbonylpentanedioic acid, dimethyl ester
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | -810.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1124.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.48 | kJ/mol | Joback Calculated Property |
| log10WS | 0.45 | Crippen Calculated Property | |
| logPoct/wat | -0.983 | Crippen Calculated Property | |
| McVol | 165.860 | ml/mol | McGowan Calculated Property |
| Pc | 2976.29 | kPa | Joback Calculated Property |
| Inp | [1424.00; 1461.00] |
|
|
| Inp | 1442.00 | NIST | |
| Inp | 1461.00 | NIST | |
| Inp | 1424.00 | NIST | |
| Inp | 1424.00 | NIST | |
| Inp | 1442.00 | NIST | |
| Inp | 1442.00 | NIST | |
| Inp | 1442.00 | NIST | |
| Inp | 1461.00 | NIST | |
| Tboil | 723.14 | K | Joback Calculated Property |
| Tc | 912.95 | K | Joback Calculated Property |
| Tfus | 470.91 | K | Joback Calculated Property |
| Vc | 0.620 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.78; 511.25] | J/mol×K | [723.14; 912.95] |
|
| Cp,gas | 461.78 | J/mol×K | 723.14 | Joback Calculated Property |
| Cp,gas | 471.58 | J/mol×K | 754.77 | Joback Calculated Property |
| Cp,gas | 480.77 | J/mol×K | 786.41 | Joback Calculated Property |
| Cp,gas | 489.33 | J/mol×K | 818.04 | Joback Calculated Property |
| Cp,gas | 497.27 | J/mol×K | 849.68 | Joback Calculated Property |
| Cp,gas | 504.58 | J/mol×K | 881.31 | Joback Calculated Property |
| Cp,gas | 511.25 | J/mol×K | 912.95 | Joback Calculated Property |
| η | [0.0000299; 0.0006814] | Pa×s | [470.91; 723.14] |
|
| η | 0.0006814 | Pa×s | 470.91 | Joback Calculated Property |
| η | 0.0003268 | Pa×s | 512.95 | Joback Calculated Property |
| η | 0.0001751 | Pa×s | 554.99 | Joback Calculated Property |
| η | 0.0001025 | Pa×s | 597.02 | Joback Calculated Property |
| η | 0.0000644 | Pa×s | 639.06 | Joback Calculated Property |
| η | 0.0000428 | Pa×s | 681.10 | Joback Calculated Property |
| η | 0.0000299 | Pa×s | 723.14 | Joback Calculated Property |
| ΔvapH | 617.40 | kJ/mol | 469.50 | NIST |
Similar Compounds
Find more compounds similar to Citric acid, trimethyl ester.
Sources
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