- InChI
- InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-12-18-28-24(26)22-16-13-17-23(19-22)25(27)29-20-21-14-10-9-11-15-21/h13,16-17,19,21H,2-12,14-15,18,20H2,1H3
- InChI Key
- LYQPYCKOQOXKCV-UHFFFAOYSA-N
- Formula
- C25H38O4
- SMILES
-
CCCCCCCCCCOC(=O)c1cccc(C(=O)OC
C2CCCCC2)c1 - Molecular Weight1
- 402.57
- 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 | 1.0835 | Relay (1.0) Calculated Property | |
| ΔfG° | -180.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -912.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.721 | Crippen Calculated Property | |
| McVol | 343.370 | ml/mol | McGowan Calculated Property |
| Pc | 1107.42 | kPa | Joback Calculated Property |
| Inp | [3186.00; 3186.00] |
|
|
| Inp | 3186.00 | NIST | |
| Inp | 3186.00 | NIST | |
| Tboil | 706.05 | K | Relay (1.0) Calculated Property |
| Tc | 912.60 | K | Relay (1.0) Calculated Property |
| Tfus | 293.89 | K | Relay (1.0) Calculated Property |
| Vc | 1.274 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1176.29; 1252.27] | J/mol×K | [975.19; 1197.03] |
|
| Cp,gas | 1176.29 | J/mol×K | 975.19 | Joback Calculated Property |
| Cp,gas | 1192.94 | J/mol×K | 1012.16 | Joback Calculated Property |
| Cp,gas | 1207.94 | J/mol×K | 1049.14 | Joback Calculated Property |
| Cp,gas | 1221.31 | J/mol×K | 1086.11 | Joback Calculated Property |
| Cp,gas | 1233.13 | J/mol×K | 1123.09 | Joback Calculated Property |
| Cp,gas | 1243.43 | J/mol×K | 1160.06 | Joback Calculated Property |
| Cp,gas | 1252.27 | J/mol×K | 1197.03 | Joback Calculated Property |
| η | [0.0000272; 0.0003825] | Pa×s | [562.15; 975.19] |
|
| η | 0.0003825 | Pa×s | 562.15 | Joback Calculated Property |
| η | 0.0001936 | Pa×s | 630.99 | Joback Calculated Property |
| η | 0.0001121 | Pa×s | 699.83 | Joback Calculated Property |
| η | 0.0000715 | Pa×s | 768.67 | Joback Calculated Property |
| η | 0.0000492 | Pa×s | 837.51 | Joback Calculated Property |
| η | 0.0000358 | Pa×s | 906.35 | Joback Calculated Property |
| η | 0.0000272 | Pa×s | 975.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cyclohexylmethyl decyl ester.
Sources
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