- InChI
- InChI=1S/C25H32O4/c1-4-5-6-7-8-9-17-28-24(26)21-11-10-12-22(18-21)25(27)29-23-15-13-20(14-16-23)19(2)3/h10-16,18-19H,4-9,17H2,1-3H3
- InChI Key
- SLOXNMDPFUBJEL-UHFFFAOYSA-N
- Formula
- C25H32O4
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)Oc2c
cc(C(C)C)cc2)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 | 1.0794 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -719.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.546 | Crippen Calculated Property | |
| McVol | 330.470 | ml/mol | McGowan Calculated Property |
| Pc | 1200.62 | kPa | Joback Calculated Property |
| Inp | [3206.00; 3206.00] |
|
|
| Inp | 3206.00 | NIST | |
| Inp | 3206.00 | NIST | |
| Tboil | 686.45 | K | Relay (1.0) Calculated Property |
| Tc | 938.14 | K | Relay (1.0) Calculated Property |
| Tfus | 308.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.221 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1076.37; 1141.50] | J/mol×K | [986.86; 1213.38] |
|
| Cp,gas | 1076.37 | J/mol×K | 986.86 | Joback Calculated Property |
| Cp,gas | 1090.75 | J/mol×K | 1024.61 | Joback Calculated Property |
| Cp,gas | 1103.65 | J/mol×K | 1062.37 | Joback Calculated Property |
| Cp,gas | 1115.13 | J/mol×K | 1100.12 | Joback Calculated Property |
| Cp,gas | 1125.22 | J/mol×K | 1137.87 | Joback Calculated Property |
| Cp,gas | 1134.00 | J/mol×K | 1175.63 | Joback Calculated Property |
| Cp,gas | 1141.50 | J/mol×K | 1213.38 | Joback Calculated Property |
| η | [0.0000256; 0.0002911] | Pa×s | [578.71; 986.86] |
|
| η | 0.0002911 | Pa×s | 578.71 | Joback Calculated Property |
| η | 0.0001568 | Pa×s | 646.74 | Joback Calculated Property |
| η | 0.0000951 | Pa×s | 714.76 | Joback Calculated Property |
| η | 0.0000628 | Pa×s | 782.79 | Joback Calculated Property |
| η | 0.0000444 | Pa×s | 850.81 | Joback Calculated Property |
| η | 0.0000330 | Pa×s | 918.84 | Joback Calculated Property |
| η | 0.0000256 | Pa×s | 986.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-isopropylphenyl octyl ester.
Sources
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