- InChI
- InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-9-10-13-19-29-25(27)23-17-14-18-24(20-23)26(28)30-21-22-15-11-12-16-22/h14,17-18,20,22H,2-13,15-16,19,21H2,1H3
- InChI Key
- TZXNHISFKFEFQT-UHFFFAOYSA-N
- Formula
- C26H40O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1cccc(C(=O)
OCC2CCCC2)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° | -160.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -784.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.98 | 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 | 1023.34 | kPa | Joback Calculated Property |
| Inp | [3435.00; 3435.00] |
|
|
| Inp | 3435.00 | NIST | |
| Inp | 3435.00 | NIST | |
| Tboil | 993.80 | K | Joback Calculated Property |
| Tc | 1217.19 | K | Joback Calculated Property |
| Tfus | 576.94 | K | Joback Calculated Property |
| Vc | 1.373 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1234.52; 1314.06] | J/mol×K | [993.80; 1217.19] |
|
| Cp,gas | 1234.52 | J/mol×K | 993.80 | Joback Calculated Property |
| Cp,gas | 1251.52 | J/mol×K | 1031.03 | Joback Calculated Property |
| Cp,gas | 1266.93 | J/mol×K | 1068.26 | Joback Calculated Property |
| Cp,gas | 1280.83 | J/mol×K | 1105.50 | Joback Calculated Property |
| Cp,gas | 1293.27 | J/mol×K | 1142.73 | Joback Calculated Property |
| Cp,gas | 1304.33 | J/mol×K | 1179.96 | Joback Calculated Property |
| Cp,gas | 1314.06 | J/mol×K | 1217.19 | Joback Calculated Property |
| η | [0.0000348; 0.0004093] | Pa×s | [576.94; 993.80] |
|
| η | 0.0004093 | Pa×s | 576.94 | Joback Calculated Property |
| η | 0.0002177 | Pa×s | 646.42 | Joback Calculated Property |
| η | 0.0001309 | Pa×s | 715.89 | Joback Calculated Property |
| η | 0.0000861 | Pa×s | 785.37 | Joback Calculated Property |
| η | 0.0000607 | Pa×s | 854.85 | Joback Calculated Property |
| η | 0.0000450 | Pa×s | 924.32 | Joback Calculated Property |
| η | 0.0000348 | Pa×s | 993.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cyclopentylmethyl dodecyl ester.
Sources
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