- InChI
- InChI=1S/C23H36O4/c1-4-7-8-9-10-11-17-26-22(24)19-15-12-16-20(18-19)23(25)27-21(13-5-2)14-6-3/h12,15-16,18,21H,4-11,13-14,17H2,1-3H3
- InChI Key
- DWUDNMCMHKLNTJ-UHFFFAOYSA-N
- Formula
- C23H36O4
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)OC(C
CC)CCC)c1 - Molecular Weight1
- 376.53
- 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 | 1.0731 | Relay (1.0) Calculated Property | |
| ΔfG° | -224.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -902.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.329 | Crippen Calculated Property | |
| McVol | 326.050 | ml/mol | McGowan Calculated Property |
| Pc | 1103.74 | kPa | Joback Calculated Property |
| Inp | 2600.00 | NIST | |
| Tboil | 652.38 | K | Relay (1.0) Calculated Property |
| Tc | 850.28 | K | Relay (1.0) Calculated Property |
| Tfus | 264.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.218 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1058.53; 1140.38] | J/mol×K | [909.44; 1116.16] | 
|
| Cp,gas | 1058.53 | J/mol×K | 909.44 | Joback Calculated Property |
| Cp,gas | 1075.35 | J/mol×K | 943.89 | Joback Calculated Property |
| Cp,gas | 1090.85 | J/mol×K | 978.35 | Joback Calculated Property |
| Cp,gas | 1105.07 | J/mol×K | 1012.80 | Joback Calculated Property |
| Cp,gas | 1118.04 | J/mol×K | 1047.26 | Joback Calculated Property |
| Cp,gas | 1129.80 | J/mol×K | 1081.71 | Joback Calculated Property |
| Cp,gas | 1140.38 | J/mol×K | 1116.16 | Joback Calculated Property |
| η | [0.0000326; 0.0004827] | Pa×s | [517.23; 909.44] |
|
| η | 0.0004827 | Pa×s | 517.23 | Joback Calculated Property |
| η | 0.0002394 | Pa×s | 582.60 | Joback Calculated Property |
| η | 0.0001368 | Pa×s | 647.97 | Joback Calculated Property |
| η | 0.0000866 | Pa×s | 713.34 | Joback Calculated Property |
| η | 0.0000592 | Pa×s | 778.70 | Joback Calculated Property |
| η | 0.0000429 | Pa×s | 844.07 | Joback Calculated Property |
| η | 0.0000326 | Pa×s | 909.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, octyl 1-propylbutyl ester.
Sources
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