- InChI
- InChI=1S/C25H32O4/c1-3-5-6-7-8-13-19-28-24(26)21-16-10-11-17-22(21)25(27)29-23-18-12-9-15-20(23)14-4-2/h9-12,15-18H,3-8,13-14,19H2,1-2H3
- InChI Key
- DCRNDGWCYJNCII-UHFFFAOYSA-N
- Formula
- C25H32O4
- SMILES
-
CCCCCCCCOC(=O)c1ccccc1C(=O)Oc1
ccccc1CCC - Molecular Weight1
- 396.52
- 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 | 1.1096 | Relay (1.0) Calculated Property | |
| ΔfG° | -102.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -691.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.376 | Crippen Calculated Property | |
| McVol | 330.470 | ml/mol | McGowan Calculated Property |
| Pc | 1194.00 | kPa | Joback Calculated Property |
| Inp | [2829.00; 2829.00] |
|
|
| Inp | 2829.00 | NIST | |
| Inp | 2829.00 | NIST | |
| Tboil | 686.14 | K | Relay (1.0) Calculated Property |
| Tc | 932.22 | K | Relay (1.0) Calculated Property |
| Tfus | 287.50 | K | Relay (1.0) Calculated Property |
| Vc | 1.228 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1075.99; 1141.48] | J/mol×K | [987.30; 1212.72] |
|
| Cp,gas | 1075.99 | J/mol×K | 987.30 | Joback Calculated Property |
| Cp,gas | 1090.36 | J/mol×K | 1024.87 | Joback Calculated Property |
| Cp,gas | 1103.28 | J/mol×K | 1062.44 | Joback Calculated Property |
| Cp,gas | 1114.80 | J/mol×K | 1100.01 | Joback Calculated Property |
| Cp,gas | 1124.97 | J/mol×K | 1137.58 | Joback Calculated Property |
| Cp,gas | 1133.85 | J/mol×K | 1175.15 | Joback Calculated Property |
| Cp,gas | 1141.48 | J/mol×K | 1212.72 | Joback Calculated Property |
| η | [0.0000281; 0.0002692] | Pa×s | [593.71; 987.30] |
|
| η | 0.0002692 | Pa×s | 593.71 | Joback Calculated Property |
| η | 0.0001532 | Pa×s | 659.31 | Joback Calculated Property |
| η | 0.0000965 | Pa×s | 724.91 | Joback Calculated Property |
| η | 0.0000657 | Pa×s | 790.50 | Joback Calculated Property |
| η | 0.0000474 | Pa×s | 856.10 | Joback Calculated Property |
| η | 0.0000358 | Pa×s | 921.70 | Joback Calculated Property |
| η | 0.0000281 | Pa×s | 987.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, octyl 2-propylphenyl ester.
Sources
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