- InChI
- InChI=1S/C26H40O4/c1-3-5-7-8-9-10-11-12-13-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-6-4-2/h4,15-16,19-20H,2-3,5-14,17-18,21-22H2,1H3
- InChI Key
- IJWVSMQETQOBPD-UHFFFAOYSA-N
- Formula
- C26H40O4
- SMILES
-
C=CCCCOC(=O)c1ccccc1C(=O)OCCCC
CCCCCCCCC - Molecular Weight1
- 416.59
- 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 | 1.1846 | Relay (1.0) Calculated Property | |
| ΔfG° | -262.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -856.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.277 | Crippen Calculated Property | |
| McVol | 364.020 | ml/mol | McGowan Calculated Property |
| Pc | 893.20 | kPa | Joback Calculated Property |
| Inp | [2955.00; 2955.00] |
|
|
| Inp | 2955.00 | NIST | |
| Inp | 2955.00 | NIST | |
| Tboil | 698.71 | K | Relay (1.0) Calculated Property |
| Tc | 886.57 | K | Relay (1.0) Calculated Property |
| Tfus | 273.35 | K | Relay (1.0) Calculated Property |
| Vc | 1.355 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.20; 1226.83] | 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 | 7.47500e+00 | |||
| Coefficient B | 2.20582e+00 | |||
| Coefficient C | -1.18846e-03 | |||
| Coefficient D | 2.02000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 525.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 648.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 758.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 856.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 942.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1018.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1084.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1140.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1187.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1226.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004421; 0.0000344] | Pa×s | [504.62; 804.95] |
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 | -1.45709e+01 | |||
| Coefficient B | 3.45504e+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. | 504.62 | |||
| Temperature range, max. | 804.95 | |||
| η | 0.0004421 | Pa×s | 504.62 | Calculated Property |
| η | 0.0002891 | Pa×s | 537.99 | Calculated Property |
| η | 0.0001987 | Pa×s | 571.36 | Calculated Property |
| η | 0.0001423 | Pa×s | 604.73 | Calculated Property |
| η | 0.0001056 | Pa×s | 638.10 | Calculated Property |
| η | 0.0000807 | Pa×s | 671.47 | Calculated Property |
| η | 0.0000632 | Pa×s | 704.84 | Calculated Property |
| η | 0.0000506 | Pa×s | 738.21 | Calculated Property |
| η | 0.0000414 | Pa×s | 771.58 | Calculated Property |
| η | 0.0000344 | Pa×s | 804.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, pent-4-enyl tridecyl ester.
Sources
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