- InChI
- InChI=1S/C21H30O4/c1-3-5-7-8-9-13-17-25-21(23)19-15-11-10-14-18(19)20(22)24-16-12-6-4-2/h4,10-11,14-15H,2-3,5-9,12-13,16-17H2,1H3
- InChI Key
- IZGXXPISSXNTOK-UHFFFAOYSA-N
- Formula
- C21H30O4
- SMILES
-
C=CCCCOC(=O)c1ccccc1C(=O)OCCCC
CCCC - Molecular Weight1
- 346.46
- 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 | 1.0006 | Relay (1.0) Calculated Property | |
| ΔfG° | -304.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -748.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.327 | Crippen Calculated Property | |
| McVol | 293.570 | ml/mol | McGowan Calculated Property |
| Pc | 1217.44 | kPa | Joback Calculated Property |
| Inp | [2450.00; 2450.00] |
|
|
| Inp | 2450.00 | NIST | |
| Inp | 2450.00 | NIST | |
| Tboil | 664.10 | K | Relay (1.0) Calculated Property |
| Tc | 851.16 | K | Relay (1.0) Calculated Property |
| Tfus | 253.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.082 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.13; 968.88] | 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 | 1.20200e+01 | |||
| Coefficient B | 1.73082e+00 | |||
| Coefficient C | -9.16460e-04 | |||
| Coefficient D | 1.42500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 419.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 515.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 602.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 680.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 748.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 807.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 859.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 902.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 939.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 968.88 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008227; 0.0000686] | Pa×s | [448.27; 715.24] |
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 | -1.37602e+01 | |||
| Coefficient B | 2.98424e+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. | 448.27 | |||
| Temperature range, max. | 715.24 | |||
| η | 0.0008227 | Pa×s | 448.27 | Calculated Property |
| η | 0.0005442 | Pa×s | 477.93 | Calculated Property |
| η | 0.0003778 | Pa×s | 507.60 | Calculated Property |
| η | 0.0002731 | Pa×s | 537.26 | Calculated Property |
| η | 0.0002042 | Pa×s | 566.92 | Calculated Property |
| η | 0.0001572 | Pa×s | 596.59 | Calculated Property |
| η | 0.0001240 | Pa×s | 626.25 | Calculated Property |
| η | 0.0001000 | Pa×s | 655.92 | Calculated Property |
| η | 0.0000821 | Pa×s | 685.58 | Calculated Property |
| η | 0.0000686 | Pa×s | 715.24 | Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, octyl pent-4-enyl ester.
Sources
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