- InChI
- InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3
- InChI Key
- DOOTYTYQINUNNV-UHFFFAOYSA-N
- Formula
- C12H20O7
- SMILES
-
CCOC(=O)CC(O)(CC(=O)OCC)C(=O)O
CC - Molecular Weight1
- 276.28
- CAS
- 77-93-0
- Other Names
-
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-triethyl ester
- 1,2,3-propanetricarboxylic acid, 2-hydroxy-, triethyl ester
- 2-Hydroxy-1,2,3-propanetricarboxylic acid, triethyl ester
- Citroflex 2
- Crodamol TC
- Eudraflex
- Hydagen C.A.T
- Hydragen CAT
- NSC 8907
- TEC
- Triethyl 2-hydroxy-1,2,3-propanetricarboxylate
- Triethylester kyseliny citronove
- Uniflex TEC
- Uniplex 80
- citric acid, triethyl ester
- ethyl citrate
- 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).
- ΔfH°solid : Solid phase 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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| η | 0.0321000 | Pa×s | Solubil... |
| ΔfG° | -785.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1186.39 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -1492.00 | kJ/mol | NIST |
| ΔfusH° | 31.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.16 | kJ/mol | Joback Calculated Property |
| log10WS | -0.81 | Crippen Calculated Property | |
| logPoct/wat | 0.187 | Crippen Calculated Property | |
| McVol | 208.130 | ml/mol | McGowan Calculated Property |
| Pc | 2222.89 | kPa | Joback Calculated Property |
| Inp | [1627.00; 1659.40] |
|
|
| Inp | 1655.00 | NIST | |
| Inp | 1659.40 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1659.00 | NIST | |
| Inp | Outlier 1627.00 | NIST | |
| Inp | 1655.00 | NIST | |
| Inp | 1659.40 | NIST | |
| I | [2461.00; 2461.00] |
|
|
| I | 2461.00 | NIST | |
| I | 2461.00 | NIST | |
| Tboil | 567.20 | K | NIST |
| Tc | 981.50 | K | Joback Calculated Property |
| Tfus | 504.72 | K | Joback Calculated Property |
| Vc | 0.787 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.61; 677.08] | J/mol×K | [791.78; 981.50] |
|
| Cp,gas | 620.61 | J/mol×K | 791.78 | Joback Calculated Property |
| Cp,gas | 631.95 | J/mol×K | 823.40 | Joback Calculated Property |
| Cp,gas | 642.51 | J/mol×K | 855.02 | Joback Calculated Property |
| Cp,gas | 652.30 | J/mol×K | 886.64 | Joback Calculated Property |
| Cp,gas | 661.32 | J/mol×K | 918.26 | Joback Calculated Property |
| Cp,gas | 669.58 | J/mol×K | 949.88 | Joback Calculated Property |
| Cp,gas | 677.08 | J/mol×K | 981.50 | Joback Calculated Property |
| η | [0.0000167; 0.0004247] | Pa×s | [504.72; 791.78] |
|
| η | 0.0004247 | Pa×s | 504.72 | Joback Calculated Property |
| η | 0.0001961 | Pa×s | 552.56 | Joback Calculated Property |
| η | 0.0001024 | Pa×s | 600.41 | Joback Calculated Property |
| η | 0.0000588 | Pa×s | 648.25 | Joback Calculated Property |
| η | 0.0000365 | Pa×s | 696.09 | Joback Calculated Property |
| η | 0.0000241 | Pa×s | 743.94 | Joback Calculated Property |
| η | 0.0000167 | Pa×s | 791.78 | Joback Calculated Property |
| ΔvapH | 68.20 | kJ/mol | 473.50 | NIST |
| ρl | [1097.30; 1138.40] | kg/m3 | [293.15; 338.15] |
|
| ρl | 1138.40 | kg/m3 | 293.15 | Investi... |
| ρl | 1134.50 | kg/m3 | 298.15 | Investi... |
| ρl | 1131.10 | kg/m3 | 303.15 | Investi... |
| ρl | 1126.20 | kg/m3 | 308.15 | Investi... |
| ρl | 1122.40 | kg/m3 | 313.15 | Investi... |
| ρl | 1116.50 | kg/m3 | 318.15 | Investi... |
| ρl | 1112.10 | kg/m3 | 323.15 | Investi... |
| ρl | 1106.60 | kg/m3 | 328.15 | Investi... |
| ρl | 1102.80 | kg/m3 | 333.15 | Investi... |
| ρl | 1097.30 | kg/m3 | 338.15 | Investi... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 400.20 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to Triethyl citrate.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
- Solubilities and Thermodynamic Properties of Carbon Dioxide in Some Biobased Solvents
- Synthesis and Characterization of Diethyl Citrate and Phase Equilibria in Mixtures with Ethanol and Water
- Joback Method
- McGowan Method
- NIST Webbook
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that the value is more than 2 standard deviations away from the
property mean.