- InChI
- InChI=1S/C23H34O4/c1-3-5-7-8-9-10-11-15-19-27-23(25)21-17-13-12-16-20(21)22(24)26-18-14-6-4-2/h4,12-13,16-17H,2-3,5-11,14-15,18-19H2,1H3
- InChI Key
- JDTMQYZUXJSEHA-UHFFFAOYSA-N
- Formula
- C23H34O4
- SMILES
-
C=CCCCOC(=O)c1ccccc1C(=O)OCCCC
CCCCCC - Molecular Weight1
- 374.52
- 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 | 1.0756 | Relay (1.0) Calculated Property | |
| ΔfG° | -287.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -792.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.107 | Crippen Calculated Property | |
| McVol | 321.750 | ml/mol | McGowan Calculated Property |
| Pc | 1069.36 | kPa | Joback Calculated Property |
| Inp | [2647.00; 2647.00] |
|
|
| Inp | 2647.00 | NIST | |
| Inp | 2647.00 | NIST | |
| Tboil | 678.07 | K | Relay (1.0) Calculated Property |
| Tc | 865.61 | K | Relay (1.0) Calculated Property |
| Tfus | 261.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.191 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.56; 1072.06] | 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 | 1.02020e+01 | |||
| Coefficient B | 1.92082e+00 | |||
| Coefficient C | -1.02526e-03 | |||
| Coefficient D | 1.66300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 461.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 568.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 664.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 750.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 826.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 892.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 949.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 997.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1038.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1072.06 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006479; 0.0000529] | Pa×s | [470.81; 749.40] |
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 | -1.40804e+01 | |||
| Coefficient B | 3.17256e+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. | 470.81 | |||
| Temperature range, max. | 749.40 | |||
| η | 0.0006479 | Pa×s | 470.81 | Calculated Property |
| η | 0.0004275 | Pa×s | 501.76 | Calculated Property |
| η | 0.0002961 | Pa×s | 532.72 | Calculated Property |
| η | 0.0002135 | Pa×s | 563.67 | Calculated Property |
| η | 0.0001593 | Pa×s | 594.63 | Calculated Property |
| η | 0.0001223 | Pa×s | 625.58 | Calculated Property |
| η | 0.0000963 | Pa×s | 656.54 | Calculated Property |
| η | 0.0000775 | Pa×s | 687.49 | Calculated Property |
| η | 0.0000635 | Pa×s | 718.44 | Calculated Property |
| η | 0.0000529 | Pa×s | 749.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, decyl pent-4-enyl ester.
Sources
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