- InChI
- InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-9-13-19-29-25(27)23-17-14-18-24(20-23)26(28)30-21-22-15-11-10-12-16-22/h14,17-18,20,22H,2-13,15-16,19,21H2,1H3
- InChI Key
- WLBYQABGVLTJEW-UHFFFAOYSA-N
- Formula
- C26H40O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1cccc(C(=O)O
CC2CCCCC2)c1 - Molecular Weight1
- 416.59
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -172.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -790.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.15 | kJ/mol | Joback Calculated Property |
| log10WS | -8.31 | Crippen Calculated Property | |
| logPoct/wat | 7.111 | Crippen Calculated Property | |
| McVol | 357.460 | ml/mol | McGowan Calculated Property |
| Pc | 1039.91 | kPa | Joback Calculated Property |
| Inp | [3291.00; 3291.00] |
|
|
| Inp | 3291.00 | NIST | |
| Inp | 3291.00 | NIST | |
| Tboil | 998.07 | K | Joback Calculated Property |
| Tc | 1223.03 | K | Joback Calculated Property |
| Tfus | 573.42 | K | Joback Calculated Property |
| Vc | 1.365 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1238.34; 1313.31] | J/mol×K | [998.07; 1223.03] |
|
| Cp,gas | 1238.34 | J/mol×K | 998.07 | Joback Calculated Property |
| Cp,gas | 1254.97 | J/mol×K | 1035.56 | Joback Calculated Property |
| Cp,gas | 1269.87 | J/mol×K | 1073.06 | Joback Calculated Property |
| Cp,gas | 1283.09 | J/mol×K | 1110.55 | Joback Calculated Property |
| Cp,gas | 1294.70 | J/mol×K | 1148.05 | Joback Calculated Property |
| Cp,gas | 1304.76 | J/mol×K | 1185.54 | Joback Calculated Property |
| Cp,gas | 1313.31 | J/mol×K | 1223.03 | Joback Calculated Property |
| η | [0.0000234; 0.0003382] | Pa×s | [573.42; 998.07] |
|
| η | 0.0003382 | Pa×s | 573.42 | Joback Calculated Property |
| η | 0.0001696 | Pa×s | 644.20 | Joback Calculated Property |
| η | 0.0000975 | Pa×s | 714.97 | Joback Calculated Property |
| η | 0.0000619 | Pa×s | 785.75 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 856.52 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 927.29 | Joback Calculated Property |
| η | 0.0000234 | Pa×s | 998.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cyclohexylmethyl undecyl ester.
Sources
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