- InChI
- InChI=1S/C13H16O4/c1-2-16-12(14)8-9-13(15)17-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
- InChI Key
- MGWTXNMQOXXVRU-UHFFFAOYSA-N
- Formula
- C13H16O4
- SMILES
- CCOC(=O)CCC(=O)OCc1ccccc1
- Molecular Weight1
- 236.26
- CAS
- 106478-00-6
- Other Names
-
- Ethyl benzyl succinate
- 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 | 0.6763 | Relay (1.0) Calculated Property | |
| ΔfG° | -449.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -661.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.073 | Crippen Calculated Property | |
| McVol | 185.150 | ml/mol | McGowan Calculated Property |
| Pc | 2214.53 | kPa | Joback Calculated Property |
| Inp | 1740.00 | NIST | |
| Tboil | 572.37 | K | Relay (1.0) Calculated Property |
| Tc | 765.95 | K | Relay (1.0) Calculated Property |
| Tfus | 273.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.695 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.68; 587.70] | 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 | 7.98400e+00 | |||
| Coefficient B | 1.05032e+00 | |||
| Coefficient C | -5.25400e-04 | |||
| Coefficient D | 5.48000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 256.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 316.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 369.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 417.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 459.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 495.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 526.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 551.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 572.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 587.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024198; 0.0001495] | Pa×s | [347.35; 590.72] |
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 | -1.27820e+01 | |||
| Coefficient B | 2.34738e+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. | 347.35 | |||
| Temperature range, max. | 590.72 | |||
| η | 0.0024198 | Pa×s | 347.35 | Calculated Property |
| η | 0.0014852 | Pa×s | 374.39 | Calculated Property |
| η | 0.0009736 | Pa×s | 401.43 | Calculated Property |
| η | 0.0006731 | Pa×s | 428.47 | Calculated Property |
| η | 0.0004862 | Pa×s | 455.52 | Calculated Property |
| η | 0.0003643 | Pa×s | 482.56 | Calculated Property |
| η | 0.0002814 | Pa×s | 509.60 | Calculated Property |
| η | 0.0002231 | Pa×s | 536.64 | Calculated Property |
| η | 0.0001809 | Pa×s | 563.68 | Calculated Property |
| η | 0.0001495 | Pa×s | 590.72 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanedioic acid, ethyl phenylmethyl ester.
Sources
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