- InChI
- InChI=1S/C14H22O8/c1-5-19-11(15)9(12(16)20-6-2)10(13(17)21-7-3)14(18)22-8-4/h9-10H,5-8H2,1-4H3
- InChI Key
- UQSBVZIXVVORQC-UHFFFAOYSA-N
- Formula
- C14H22O8
- SMILES
-
CCOC(=O)C(C(=O)OCC)C(C(=O)OCC)
C(=O)OCC - Molecular Weight1
- 318.32
- Other Names
-
- 1,1,2,2-Tetracarbethoxyethane
- Ethane-1,1,2,2-tetracarboxylic acid, tetraethyl ester
- Tetraethyl 1,1,2,2-ethanetetracarboxylate
- Tetrakis(ethoxycarbonyl)ethane
- tetraethyl ethane-1,1,2,2-tetracarboxylate
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- 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 |
|---|---|---|---|
| ω | 0.7746 | Relay (1.0) Calculated Property | |
| ΔfG° | -1179.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1579.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.471 | Crippen Calculated Property | |
| McVol | 237.880 | ml/mol | McGowan Calculated Property |
| Pc | 1567.23 | kPa | Joback Calculated Property |
| Tboil | 561.06 | K | Relay (1.0) Calculated Property |
| Tc | 742.45 | K | Relay (1.0) Calculated Property |
| Tfus | 350.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.878 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.19; 775.11] | 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 | 8.84340e+01 | |||
| Coefficient B | 1.12648e+00 | |||
| Coefficient C | -3.65800e-04 | |||
| Coefficient D | -7.40000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 367.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 437.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 502.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 561.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 614.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 660.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 699.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 732.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 757.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 775.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0050848; 0.0000654] | Pa×s | [350.15; 657.02] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.46009e+01 | |||
| Coefficient B | 3.26320e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 350.15 | |||
| Temperature range, max. | 657.02 | |||
| η | 0.0050848 | Pa×s | 350.15 | Calculated Property |
| η | 0.0022239 | Pa×s | 384.25 | Calculated Property |
| η | 0.0011130 | Pa×s | 418.34 | Calculated Property |
| η | 0.0006183 | Pa×s | 452.44 | Calculated Property |
| η | 0.0003730 | Pa×s | 486.54 | Calculated Property |
| η | 0.0002404 | Pa×s | 520.63 | Calculated Property |
| η | 0.0001635 | Pa×s | 554.73 | Calculated Property |
| η | 0.0001163 | Pa×s | 588.83 | Calculated Property |
| η | 0.0000859 | Pa×s | 622.92 | Calculated Property |
| η | 0.0000654 | Pa×s | 657.02 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,2,2-Ethanetetracarboxylic acid, tetraethyl ester.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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