- InChI
- InChI=1S/C10H16O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h5-6H2,1-4H3
- InChI Key
- WEISAZNMMVPNTH-UHFFFAOYSA-N
- Formula
- C10H16O4
- SMILES
- CCOC(=O)C(C(=O)OCC)=C(C)C
- Molecular Weight1
- 200.23
- Other Names
-
- Malonic acid, isopropylidene-, diethyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.6102 | Relay (1.0) Calculated Property | |
| ΔfG° | -524.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -758.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.449 | Crippen Calculated Property | |
| McVol | 162.340 | ml/mol | McGowan Calculated Property |
| Pc | 2254.67 | kPa | Joback Calculated Property |
| Tboil | 517.52 | K | Relay (1.0) Calculated Property |
| Tc | 687.77 | K | Relay (1.0) Calculated Property |
| Tfus | 239.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.610 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 449.70 | K | 16.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.60; 520.33] | 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 | 3.10520e+01 | |||
| Coefficient B | 8.64080e-01 | |||
| Coefficient C | -4.19400e-04 | |||
| Coefficient D | 4.46000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 236.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 286.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 331.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 371.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 406.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 437.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 464.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 486.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 505.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 520.33 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanedioic acid, (1-methylethylidene)-, diethyl ester.
Sources
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