- InChI
- InChI=1S/C10H16O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7H,4-6H2,1-3H3
- InChI Key
- AGZPNUZBDCYTBB-UHFFFAOYSA-N
- Formula
- C10H16O6
- SMILES
- CCOC(=O)C(C(=O)OCC)C(=O)OCC
- Molecular Weight1
- 232.23
- CAS
- 6279-86-3
- Other Names
-
- Diethyl 2-(ethoxycarbonyl)malonate
- Methanetricarboxylic acid, triethyl ester
- Tricarbethoxymethane
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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°liquid : Liquid 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).
- 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 | 0.6417 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4969.46 ± 0.67 | kJ/mol | NIST |
| ΔfG° | -900.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1173.10 ± 1.30 | kJ/mol | NIST |
| ΔfH°liquid | -1252.30 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 31.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [79.10; 79.20] | kJ/mol |
|
| ΔvapH° | 79.20 ± 0.71 | kJ/mol | NIST |
| ΔvapH° | 79.20 | kJ/mol | NIST |
| ΔvapH° | 79.10 ± 0.70 | kJ/mol | NIST |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.292 | Crippen Calculated Property | |
| McVol | 174.080 | ml/mol | McGowan Calculated Property |
| Pc | 2153.30 | kPa | Joback Calculated Property |
| Tboil | 526.20 | K | NIST |
| Tc | 702.52 | K | Relay (1.0) Calculated Property |
| Tfus | 301.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.648 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 419.80 | J/mol×K | 298.15 | NIST |
| ΔvapH | 74.10 ± 0.40 | kJ/mol | 318.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [266.32; 560.10] | 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 | 6.83430e+01 | |||
| Coefficient B | 7.95360e-01 | |||
| Coefficient C | -2.39600e-04 | |||
| Coefficient D | -6.40000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 266.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 316.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 363.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 405.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 443.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 477.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 505.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 529.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 547.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 560.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0062990; 0.0001589] | Pa×s | [301.65; 549.86] |
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 | -1.32193e+01 | |||
| Coefficient B | 2.45902e+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. | 301.65 | |||
| Temperature range, max. | 549.86 | |||
| η | 0.0062990 | Pa×s | 301.65 | Calculated Property |
| η | 0.0031820 | Pa×s | 329.23 | Calculated Property |
| η | 0.0017864 | Pa×s | 356.81 | Calculated Property |
| η | 0.0010895 | Pa×s | 384.39 | Calculated Property |
| η | 0.0007100 | Pa×s | 411.97 | Calculated Property |
| η | 0.0004882 | Pa×s | 439.54 | Calculated Property |
| η | 0.0003509 | Pa×s | 467.12 | Calculated Property |
| η | 0.0002616 | Pa×s | 494.70 | Calculated Property |
| η | 0.0002012 | Pa×s | 522.28 | Calculated Property |
| η | 0.0001589 | Pa×s | 549.86 | Calculated Property |
Similar Compounds
Find more compounds similar to Triethyl methanetricarboxylate.
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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