- InChI
- InChI=1S/C24H22O4/c1-3-17-9-7-11-19(15-17)27-23(25)21-13-5-6-14-22(21)24(26)28-20-12-8-10-18(4-2)16-20/h5-16H,3-4H2,1-2H3
- InChI Key
- XDUJERDZZZSVFY-UHFFFAOYSA-N
- Formula
- C24H22O4
- SMILES
-
CCc1cccc(OC(=O)c2ccccc2C(=O)Oc
2cccc(CC)c2)c1 - Molecular Weight1
- 374.44
- 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 | 0.9457 | Relay (1.0) Calculated Property | |
| ΔfG° | -161.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -460.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.250 | Crippen Calculated Property | |
| McVol | 292.620 | ml/mol | McGowan Calculated Property |
| Pc | 1521.12 | kPa | Joback Calculated Property |
| Inp | [2917.00; 2917.00] |
|
|
| Inp | 2917.00 | NIST | |
| Inp | 2917.00 | NIST | |
| Tboil | 698.07 | K | Relay (1.0) Calculated Property |
| Tc | 1003.30 | K | Relay (1.0) Calculated Property |
| Tfus | 331.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.070 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [383.17; 909.03] | 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 | -2.69280e+01 | |||
| Coefficient B | 1.75904e+00 | |||
| Coefficient C | -9.85080e-04 | |||
| Coefficient D | 1.62000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 383.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 479.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 564.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 640.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 705.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 762.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 810.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 850.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 883.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 909.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002950; 0.0000418] | Pa×s | [561.72; 841.93] |
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 | -1.39966e+01 | |||
| Coefficient B | 3.29620e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 561.72 | |||
| Temperature range, max. | 841.93 | |||
| η | 0.0002950 | Pa×s | 561.72 | Calculated Property |
| η | 0.0002168 | Pa×s | 592.85 | Calculated Property |
| η | 0.0001643 | Pa×s | 623.99 | Calculated Property |
| η | 0.0001278 | Pa×s | 655.12 | Calculated Property |
| η | 0.0001017 | Pa×s | 686.26 | Calculated Property |
| η | 0.0000826 | Pa×s | 717.39 | Calculated Property |
| η | 0.0000682 | Pa×s | 748.53 | Calculated Property |
| η | 0.0000572 | Pa×s | 779.66 | Calculated Property |
| η | 0.0000486 | Pa×s | 810.80 | Calculated Property |
| η | 0.0000418 | Pa×s | 841.93 | Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, di(3-ethylphenyl) ester.
Sources
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