- InChI
- InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3
- InChI Key
- WEAPVABOECTMGR-UHFFFAOYSA-N
- Formula
- C14H22O8
- SMILES
-
CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)
C(=O)OCC - Molecular Weight1
- 318.32
- CAS
- 77-89-4
- Other Names
-
- 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-triethyl ester
- 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester
- 1,2,3-Propanetricarboxylic acid, 2-acetoxy-, triethyl ester
- ATEC
- Acetyl triethyl citrate
- Citric acid, acetyl triethyl ester
- Citric acid, triethyl ester, acetate
- Citroflex A 2
- NSC 3887
- Tricarballylic acid, «beta»-acetoxytributyl ester
- Triethyl 2-(acetyloxy)-1,2,3-propanetricarboxylate
- Triethyl 2-acetoxy-1,2,3-propanetricarboxylate
- Triethyl O-acetylcitrate
- Triethyl acetylcitrate
- Triethylester kyseliny acetylcitronove
- Uniplex 82
- triethyl 2-acetoxypropane-1,2,3-tricarboxylate
- triethyl 2-acetyloxy-1,2,3-propanetricarboxylate
- triethyl acetyl citrate
- triethyl citrate acetate
- 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).
- ρl : Liquid Density (kg/m3).
- 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 |
|---|---|---|---|
| η | 0.0465500 | Pa×s | Solubil... |
| ΔfG° | -865.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1320.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.09 | kJ/mol | Joback Calculated Property |
| log10WS | -1.24 | Crippen Calculated Property | |
| logPoct/wat | 0.758 | Crippen Calculated Property | |
| McVol | 237.880 | ml/mol | McGowan Calculated Property |
| Pc | 1796.98 | kPa | Joback Calculated Property |
| Inp | [1730.00; 1730.00] |
|
|
| Inp | 1730.00 | NIST | |
| Inp | 1730.00 | NIST | |
| Inp | 1730.00 | NIST | |
| Tboil | 821.65 | K | Joback Calculated Property |
| Tc | 1019.88 | K | Joback Calculated Property |
| Tfus | 538.60 | K | Joback Calculated Property |
| Vc | 0.904 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [717.34; 777.51] | J/mol×K | [821.65; 1019.88] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 720 730 740 750 760 770 780 850 900 950 1000 | ||||
| Cp,gas | 717.34 | J/mol×K | 821.65 | Joback Calculated Property |
| Cp,gas | 729.91 | J/mol×K | 854.69 | Joback Calculated Property |
| Cp,gas | 741.48 | J/mol×K | 887.73 | Joback Calculated Property |
| Cp,gas | 752.02 | J/mol×K | 920.77 | Joback Calculated Property |
| Cp,gas | 761.55 | J/mol×K | 953.80 | Joback Calculated Property |
| Cp,gas | 770.05 | J/mol×K | 986.84 | Joback Calculated Property |
| Cp,gas | 777.51 | J/mol×K | 1019.88 | Joback Calculated Property |
| η | [0.0000512; 0.0004345] | Pa×s | [538.60; 821.65] |
|
|
T(K) Dynamic viscosity (Pa×s) 1.00e-4 2.00e-4 3.00e-4 4.00e-4 600 700 800 | ||||
| η | 0.0004345 | Pa×s | 538.60 | Joback Calculated Property |
| η | 0.0002636 | Pa×s | 585.77 | Joback Calculated Property |
| η | 0.0001723 | Pa×s | 632.95 | Joback Calculated Property |
| η | 0.0001194 | Pa×s | 680.12 | Joback Calculated Property |
| η | 0.0000868 | Pa×s | 727.30 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 774.47 | Joback Calculated Property |
| η | 0.0000512 | Pa×s | 821.65 | Joback Calculated Property |
| ρl | [1100.50; 1142.10] | kg/m3 | [293.15; 338.15] |
|
|
T(K) Liquid Density (kg/m3) 1100 1110 1120 1130 1140 300 310 320 330 | ||||
| ρl | 1142.10 | kg/m3 | 293.15 | Investi... |
| ρl | 1137.50 | kg/m3 | 298.15 | Investi... |
| ρl | 1133.10 | kg/m3 | 303.15 | Investi... |
| ρl | 1127.60 | kg/m3 | 308.15 | Investi... |
| ρl | 1124.10 | kg/m3 | 313.15 | Investi... |
| ρl | 1118.50 | kg/m3 | 318.15 | Investi... |
| ρl | 1115.10 | kg/m3 | 323.15 | Investi... |
| ρl | 1110.10 | kg/m3 | 328.15 | Investi... |
| ρl | 1105.40 | kg/m3 | 333.15 | Investi... |
| ρl | 1100.50 | kg/m3 | 338.15 | Investi... |
Similar Compounds
Find more compounds similar to O-Acetylcitric acid triethyl ester.
Mixtures
- O-Acetylcitric acid triethyl ester + Sulfur dioxide
- O-Acetylcitric acid triethyl ester + Carbon dioxide
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
- Joback Method
- McGowan Method
- NIST Webbook
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