- InChI
- InChI=1S/C25H32O4/c1-2-3-4-5-6-10-18-28-24(26)22-16-11-17-23(20-22)25(27)29-19-12-15-21-13-8-7-9-14-21/h7-9,11,13-14,16-17,20H,2-6,10,12,15,18-19H2,1H3
- InChI Key
- XHGGUJXDCSYPJS-UHFFFAOYSA-N
- Formula
- C25H32O4
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)OCCC
c2ccccc2)c1 - 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 | 1.0991 | Relay (1.0) Calculated Property | |
| ΔfG° | -245.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -705.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.993 | Crippen Calculated Property | |
| McVol | 330.470 | ml/mol | McGowan Calculated Property |
| Pc | 1140.57 | kPa | Joback Calculated Property |
| Inp | [3217.00; 3217.00] |
|
|
| Inp | 3217.00 | NIST | |
| Inp | 3217.00 | NIST | |
| Tboil | 704.98 | K | Relay (1.0) Calculated Property |
| Tc | 931.65 | K | Relay (1.0) Calculated Property |
| Tfus | 296.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.237 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1064.22; 1130.89] | J/mol×K | [946.38; 1164.94] |
|
| Cp,gas | 1064.22 | J/mol×K | 946.38 | Joback Calculated Property |
| Cp,gas | 1078.85 | J/mol×K | 982.81 | Joback Calculated Property |
| Cp,gas | 1091.99 | J/mol×K | 1019.23 | Joback Calculated Property |
| Cp,gas | 1103.71 | J/mol×K | 1055.66 | Joback Calculated Property |
| Cp,gas | 1114.06 | J/mol×K | 1092.09 | Joback Calculated Property |
| Cp,gas | 1123.10 | J/mol×K | 1128.51 | Joback Calculated Property |
| Cp,gas | 1130.89 | J/mol×K | 1164.94 | Joback Calculated Property |
| η | [0.0000207; 0.0004061] | Pa×s | [521.53; 946.38] |
|
| η | 0.0004061 | Pa×s | 521.53 | Joback Calculated Property |
| η | 0.0001838 | Pa×s | 592.34 | Joback Calculated Property |
| η | 0.0000985 | Pa×s | 663.15 | Joback Calculated Property |
| η | 0.0000595 | Pa×s | 733.95 | Joback Calculated Property |
| η | 0.0000393 | Pa×s | 804.76 | Joback Calculated Property |
| η | 0.0000278 | Pa×s | 875.57 | Joback Calculated Property |
| η | 0.0000207 | Pa×s | 946.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, octyl 3-phenylpropyl ester.
Sources
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