- InChI
- InChI=1S/C14H18O4/c1-3-17-13(15)8-9-14(16)18-10-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3
- InChI Key
- DDAYJJCKPVVKHU-UHFFFAOYSA-N
- Formula
- C14H18O4
- SMILES
- CCOC(=O)CCC(=O)OCc1ccc(C)cc1
- Molecular Weight1
- 250.29
- 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).
- 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 | 0.7188 | Relay (1.0) Calculated Property | |
| ΔfG° | -450.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -711.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.382 | Crippen Calculated Property | |
| McVol | 199.240 | ml/mol | McGowan Calculated Property |
| Pc | 2000.12 | kPa | Joback Calculated Property |
| Inp | [1848.00; 1848.00] |
|
|
| Inp | 1848.00 | NIST | |
| Inp | 1848.00 | NIST | |
| Tboil | 584.28 | K | Relay (1.0) Calculated Property |
| Tc | 777.57 | K | Relay (1.0) Calculated Property |
| Tfus | 286.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.44; 636.25] | 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 | 2.13740e+01 | |||
| Coefficient B | 1.08584e+00 | |||
| Coefficient C | -5.12760e-04 | |||
| Coefficient D | 4.18000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 280.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 343.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 399.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 450.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 495.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 534.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 567.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 595.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 618.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 636.25 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016800; 0.0001358] | Pa×s | [371.14; 608.94] |
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 | -1.28294e+01 | |||
| Coefficient B | 2.39028e+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. | 371.14 | |||
| Temperature range, max. | 608.94 | |||
| η | 0.0016800 | Pa×s | 371.14 | Calculated Property |
| η | 0.0010950 | Pa×s | 397.56 | Calculated Property |
| η | 0.0007528 | Pa×s | 423.98 | Calculated Property |
| η | 0.0005408 | Pa×s | 450.41 | Calculated Property |
| η | 0.0004030 | Pa×s | 476.83 | Calculated Property |
| η | 0.0003098 | Pa×s | 503.25 | Calculated Property |
| η | 0.0002444 | Pa×s | 529.67 | Calculated Property |
| η | 0.0001973 | Pa×s | 556.09 | Calculated Property |
| η | 0.0001623 | Pa×s | 582.51 | Calculated Property |
| η | 0.0001358 | Pa×s | 608.94 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, ethyl 4-methylbenzyl ester.
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