- InChI
- InChI=1S/C20H28O4/c1-3-5-7-8-12-16-24-20(22)18-14-10-9-13-17(18)19(21)23-15-11-6-4-2/h4,9-10,13-14H,2-3,5-8,11-12,15-16H2,1H3
- InChI Key
- NNRQEDUNKPPZFB-UHFFFAOYSA-N
- Formula
- C20H28O4
- SMILES
-
C=CCCCOC(=O)c1ccccc1C(=O)OCCCC
CCC - Molecular Weight1
- 332.44
- 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 | 0.9620 | Relay (1.0) Calculated Property | |
| ΔfG° | -312.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -726.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.937 | Crippen Calculated Property | |
| McVol | 279.480 | ml/mol | McGowan Calculated Property |
| Pc | 1303.29 | kPa | Joback Calculated Property |
| Inp | [2354.00; 2354.00] |
|
|
| Inp | 2354.00 | NIST | |
| Inp | 2354.00 | NIST | |
| Tboil | 657.05 | K | Relay (1.0) Calculated Property |
| Tc | 843.60 | K | Relay (1.0) Calculated Property |
| Tfus | 249.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.027 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.92; 917.29] | 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 | 1.29290e+01 | |||
| Coefficient B | 1.63582e+00 | |||
| Coefficient C | -8.62060e-04 | |||
| Coefficient D | 1.30600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 397.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 489.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 571.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 644.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 709.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 765.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 814.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 855.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 889.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 917.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009219; 0.0000773] | Pa×s | [437.00; 698.91] |
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 | -1.36025e+01 | |||
| Coefficient B | 2.89008e+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. | 437.00 | |||
| Temperature range, max. | 698.91 | |||
| η | 0.0009219 | Pa×s | 437.00 | Calculated Property |
| η | 0.0006100 | Pa×s | 466.10 | Calculated Property |
| η | 0.0004237 | Pa×s | 495.20 | Calculated Property |
| η | 0.0003065 | Pa×s | 524.30 | Calculated Property |
| η | 0.0002294 | Pa×s | 553.40 | Calculated Property |
| η | 0.0001767 | Pa×s | 582.50 | Calculated Property |
| η | 0.0001395 | Pa×s | 611.60 | Calculated Property |
| η | 0.0001126 | Pa×s | 640.71 | Calculated Property |
| η | 0.0000926 | Pa×s | 669.81 | Calculated Property |
| η | 0.0000773 | Pa×s | 698.91 | Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, heptyl pent-4-enyl ester.
Sources
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