- InChI
- InChI=1S/C22H32O4/c1-3-5-7-8-9-10-14-18-26-22(24)20-16-12-11-15-19(20)21(23)25-17-13-6-4-2/h4,11-12,15-16H,2-3,5-10,13-14,17-18H2,1H3
- InChI Key
- KHIVFTSVFZEBQJ-UHFFFAOYSA-N
- Formula
- C22H32O4
- SMILES
-
C=CCCCOC(=O)c1ccccc1C(=O)OCCCC
CCCCC - Molecular Weight1
- 360.49
- 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 | 1.0385 | Relay (1.0) Calculated Property | |
| ΔfG° | -295.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -770.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.717 | Crippen Calculated Property | |
| McVol | 307.660 | ml/mol | McGowan Calculated Property |
| Pc | 1139.80 | kPa | Joback Calculated Property |
| Inp | [2550.00; 2550.00] |
|
|
| Inp | 2550.00 | NIST | |
| Inp | 2550.00 | NIST | |
| Tboil | 671.11 | K | Relay (1.0) Calculated Property |
| Tc | 858.47 | K | Relay (1.0) Calculated Property |
| Tfus | 257.29 | K | Relay (1.0) Calculated Property |
| Vc | 1.136 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [440.34; 1020.47] | 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 | 1.11110e+01 | |||
| Coefficient B | 1.82582e+00 | |||
| Coefficient C | -9.70860e-04 | |||
| Coefficient D | 1.54400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 440.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 542.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 633.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 715.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 787.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 850.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 904.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 950.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 989.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1020.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007313; 0.0000604] | Pa×s | [459.54; 732.06] |
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 | -1.39195e+01 | |||
| Coefficient B | 3.07840e+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. | 459.54 | |||
| Temperature range, max. | 732.06 | |||
| η | 0.0007313 | Pa×s | 459.54 | Calculated Property |
| η | 0.0004834 | Pa×s | 489.82 | Calculated Property |
| η | 0.0003352 | Pa×s | 520.10 | Calculated Property |
| η | 0.0002421 | Pa×s | 550.38 | Calculated Property |
| η | 0.0001808 | Pa×s | 580.66 | Calculated Property |
| η | 0.0001390 | Pa×s | 610.94 | Calculated Property |
| η | 0.0001096 | Pa×s | 641.22 | Calculated Property |
| η | 0.0000883 | Pa×s | 671.50 | Calculated Property |
| η | 0.0000724 | Pa×s | 701.78 | Calculated Property |
| η | 0.0000604 | Pa×s | 732.06 | Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, nonyl pent-4-enyl ester.
Sources
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