- InChI
- InChI=1S/C15H20O4/c1-3-10-18-14(16)8-9-15(17)19-11-13-7-5-4-6-12(13)2/h4-7H,3,8-11H2,1-2H3
- InChI Key
- HISZWBBYYMDGRE-UHFFFAOYSA-N
- Formula
- C15H20O4
- SMILES
- CCCOC(=O)CCC(=O)OCc1ccccc1C
- Molecular Weight1
- 264.32
- 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 | 0.7503 | Relay (1.0) Calculated Property | |
| ΔfG° | -442.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -720.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.772 | Crippen Calculated Property | |
| McVol | 213.330 | ml/mol | McGowan Calculated Property |
| Pc | 1838.84 | kPa | Joback Calculated Property |
| Inp | [1940.00; 1940.00] |
|
|
| Inp | 1940.00 | NIST | |
| Inp | 1940.00 | NIST | |
| Tboil | 596.00 | K | Relay (1.0) Calculated Property |
| Tc | 787.37 | K | Relay (1.0) Calculated Property |
| Tfus | 281.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.796 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.66; 687.84] | 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 | 2.04650e+01 | |||
| Coefficient B | 1.18084e+00 | |||
| Coefficient C | -5.67160e-04 | |||
| Coefficient D | 5.37000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 301.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 369.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 430.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 485.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 534.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 576.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 612.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 643.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 668.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 687.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015384; 0.0001249] | Pa×s | [382.41; 623.30] |
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 | -1.29738e+01 | |||
| Coefficient B | 2.48444e+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. | 382.41 | |||
| Temperature range, max. | 623.30 | |||
| η | 0.0015384 | Pa×s | 382.41 | Calculated Property |
| η | 0.0010058 | Pa×s | 409.18 | Calculated Property |
| η | 0.0006928 | Pa×s | 435.94 | Calculated Property |
| η | 0.0004982 | Pa×s | 462.71 | Calculated Property |
| η | 0.0003715 | Pa×s | 489.47 | Calculated Property |
| η | 0.0002855 | Pa×s | 516.24 | Calculated Property |
| η | 0.0002252 | Pa×s | 543.00 | Calculated Property |
| η | 0.0001817 | Pa×s | 569.77 | Calculated Property |
| η | 0.0001494 | Pa×s | 596.53 | Calculated Property |
| η | 0.0001249 | Pa×s | 623.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-methylbenzyl propyl ester.
Sources
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