- InChI
- InChI=1S/C17H24O4/c1-5-17(6-2,15(18)20-7-3)16(19)21-12-14-10-8-9-13(4)11-14/h8-11H,5-7,12H2,1-4H3
- InChI Key
- PFTLVKPNEYWMPF-UHFFFAOYSA-N
- Formula
- C17H24O4
- SMILES
-
CCOC(=O)C(CC)(CC)C(=O)OCc1cccc
(C)c1 - Molecular Weight1
- 292.37
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 |
|---|---|---|---|
| ω | 0.7095 | Relay (1.0) Calculated Property | |
| ΔfG° | -422.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -743.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.51 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.408 | Crippen Calculated Property | |
| McVol | 241.510 | ml/mol | McGowan Calculated Property |
| Pc | 1593.62 | kPa | Joback Calculated Property |
| Inp | [1891.00; 1891.00] |
|
|
| Inp | 1891.00 | NIST | |
| Inp | 1891.00 | NIST | |
| Tboil | 593.57 | K | Relay (1.0) Calculated Property |
| Tc | 804.45 | K | Relay (1.0) Calculated Property |
| Tfus | 279.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.864 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [694.80; 775.38] | J/mol×K | [733.43; 937.73] |
|
| Cp,gas | 694.80 | J/mol×K | 733.43 | Joback Calculated Property |
| Cp,gas | 711.03 | J/mol×K | 767.48 | Joback Calculated Property |
| Cp,gas | 726.10 | J/mol×K | 801.53 | Joback Calculated Property |
| Cp,gas | 740.03 | J/mol×K | 835.58 | Joback Calculated Property |
| Cp,gas | 752.86 | J/mol×K | 869.63 | Joback Calculated Property |
| Cp,gas | 764.63 | J/mol×K | 903.68 | Joback Calculated Property |
| Cp,gas | 775.38 | J/mol×K | 937.73 | Joback Calculated Property |
| η | [0.0000537; 0.0012895] | Pa×s | [407.37; 733.43] |
|
| η | 0.0012895 | Pa×s | 407.37 | Joback Calculated Property |
| η | 0.0005557 | Pa×s | 461.71 | Joback Calculated Property |
| η | 0.0002860 | Pa×s | 516.06 | Joback Calculated Property |
| η | 0.0001670 | Pa×s | 570.40 | Joback Calculated Property |
| η | 0.0001071 | Pa×s | 624.74 | Joback Calculated Property |
| η | 0.0000737 | Pa×s | 679.09 | Joback Calculated Property |
| η | 0.0000537 | Pa×s | 733.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, ethyl 3-methylbenzyl ester.
Sources
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