- InChI
- InChI=1S/C19H20O4/c1-3-12-22-18(20)16-10-6-7-11-17(16)19(21)23-13-15-9-5-4-8-14(15)2/h4-11H,3,12-13H2,1-2H3
- InChI Key
- BYPMUUNQMAUCEL-UHFFFAOYSA-N
- Formula
- C19H20O4
- SMILES
-
CCCOC(=O)c1ccccc1C(=O)OCc1cccc
c1C - Molecular Weight1
- 312.36
- 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 | 0.8254 | Relay (1.0) Calculated Property | |
| ΔfG° | -306.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -564.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.919 | Crippen Calculated Property | |
| McVol | 245.930 | ml/mol | McGowan Calculated Property |
| Pc | 1736.11 | kPa | Joback Calculated Property |
| Inp | [2312.00; 2312.00] |
|
|
| Inp | 2312.00 | NIST | |
| Inp | 2312.00 | NIST | |
| Tboil | 648.51 | K | Relay (1.0) Calculated Property |
| Tc | 892.19 | K | Relay (1.0) Calculated Property |
| Tfus | 293.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.907 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [331.81; 772.64] | 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 | -2.77700e+00 | |||
| Coefficient B | 1.42244e+00 | |||
| Coefficient C | -7.48920e-04 | |||
| Coefficient D | 1.01900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 331.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 411.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 482.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 545.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 600.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 648.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 689.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 723.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 751.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 772.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006775; 0.0000766] | Pa×s | [466.43; 726.02] |
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 | -1.33928e+01 | |||
| Coefficient B | 2.84324e+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. | 466.43 | |||
| Temperature range, max. | 726.02 | |||
| η | 0.0006775 | Pa×s | 466.43 | Calculated Property |
| η | 0.0004751 | Pa×s | 495.27 | Calculated Property |
| η | 0.0003464 | Pa×s | 524.12 | Calculated Property |
| η | 0.0002610 | Pa×s | 552.96 | Calculated Property |
| η | 0.0002023 | Pa×s | 581.80 | Calculated Property |
| η | 0.0001606 | Pa×s | 610.64 | Calculated Property |
| η | 0.0001302 | Pa×s | 639.49 | Calculated Property |
| η | 0.0001074 | Pa×s | 668.33 | Calculated Property |
| η | 0.0000901 | Pa×s | 697.17 | Calculated Property |
| η | 0.0000766 | Pa×s | 726.02 | Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-methylbenzyl propyl ester.
Sources
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