- 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
- ω : Acentric Factor.
- 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).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ω | 0.9033 | Relay (1.0) Calculated Property | |
| η | 0.0321000 | Pa×s | Solubilities and Thermodynamic Properties of Carbon Dioxide in Some Biobased Solvents |
| ΔfG° | -1014.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1419.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -1492.00 | kJ/mol | NIST |
| ΔfusH° | 36.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.187 | Crippen Calculated Property | |
| McVol | 208.130 | ml/mol | McGowan Calculated Property |
| Pc | 1985.89 | 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 | 1656.00 | NIST | |
| Inp | 1659.40 | NIST | |
| Inp | 1655.00 | NIST | |
| I | [2461.00; 2461.00] |
|
|
| I | 2461.00 | NIST | |
| I | 2461.00 | NIST | |
| Tboil | 567.20 | K | NIST |
| Tc | 758.95 | K | Relay (1.0) Calculated Property |
| Tfus | 293.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.780 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 400.20 | K | 0.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.10; 682.88] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.90250e+01 | |||
| Coefficient B | 1.13926e+00 | |||
| Coefficient C | -5.47400e-04 | |||
| Coefficient D | 4.20000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 320.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 385.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 444.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 496.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 542.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 582.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 616.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 644.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 666.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 682.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.13; 91.51] | kPa | [380.00; 567.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.35453e+01 | |||
| Coefficient B | -4.01388e+03 | |||
| Coefficient C | -1.22435e+02 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 380.00 | |||
| Temperature range, max. | 567.00 | |||
| Pvap | 0.13 | kPa | 380.00 | Calculated Property |
| Pvap | 0.42 | kPa | 400.78 | Calculated Property |
| Pvap | 1.13 | kPa | 421.56 | Calculated Property |
| Pvap | 2.71 | kPa | 442.33 | Calculated Property |
| Pvap | 5.83 | kPa | 463.11 | Calculated Property |
| Pvap | 11.48 | kPa | 483.89 | Calculated Property |
| Pvap | 20.99 | kPa | 504.67 | Calculated Property |
| Pvap | 36.07 | kPa | 525.44 | Calculated Property |
| Pvap | 58.78 | kPa | 546.22 | Calculated Property |
| Pvap | 91.51 | kPa | 567.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Triethyl citrate.
Mixtures
Sources
- Cheméo Relay (1.0)
- 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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