- InChI
- InChI=1S/C24H36O4/c1-3-4-5-6-7-8-11-17-27-23(25)20-14-12-15-21(18-20)24(26)28-22-16-10-9-13-19(22)2/h12,14-15,18-19,22H,3-11,13,16-17H2,1-2H3
- InChI Key
- JBQVCXFMPBWSRL-UHFFFAOYSA-N
- Formula
- C24H36O4
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)OC2
CCCCC2C)c1 - Molecular Weight1
- 388.54
- 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 | 1.0213 | Relay (1.0) Calculated Property | |
| ΔfG° | -197.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -893.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.329 | Crippen Calculated Property | |
| McVol | 329.280 | ml/mol | McGowan Calculated Property |
| Pc | 1155.35 | kPa | Joback Calculated Property |
| Inp | [2982.00; 2982.00] |
|
|
| Inp | 2982.00 | NIST | |
| Inp | 2982.00 | NIST | |
| Tboil | 684.20 | K | Relay (1.0) Calculated Property |
| Tc | 903.84 | K | Relay (1.0) Calculated Property |
| Tfus | 299.47 | K | Relay (1.0) Calculated Property |
| Vc | 1.217 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1118.97; 1196.02] | J/mol×K | [947.64; 1166.72] |
|
| Cp,gas | 1118.97 | J/mol×K | 947.64 | Joback Calculated Property |
| Cp,gas | 1135.90 | J/mol×K | 984.15 | Joback Calculated Property |
| Cp,gas | 1151.14 | J/mol×K | 1020.67 | Joback Calculated Property |
| Cp,gas | 1164.74 | J/mol×K | 1057.18 | Joback Calculated Property |
| Cp,gas | 1176.73 | J/mol×K | 1093.70 | Joback Calculated Property |
| Cp,gas | 1187.14 | J/mol×K | 1130.21 | Joback Calculated Property |
| Cp,gas | 1196.02 | J/mol×K | 1166.72 | Joback Calculated Property |
| η | [0.0000421; 0.0004883] | Pa×s | [546.64; 947.64] |
|
| η | 0.0004883 | Pa×s | 546.64 | Joback Calculated Property |
| η | 0.0002598 | Pa×s | 613.47 | Joback Calculated Property |
| η | 0.0001565 | Pa×s | 680.31 | Joback Calculated Property |
| η | 0.0001032 | Pa×s | 747.14 | Joback Calculated Property |
| η | 0.0000729 | Pa×s | 813.97 | Joback Calculated Property |
| η | 0.0000543 | Pa×s | 880.81 | Joback Calculated Property |
| η | 0.0000421 | Pa×s | 947.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-methylcyclohexyl nonyl ester.
Sources
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