- InChI
- InChI=1S/C26H40O4/c1-3-4-5-6-7-8-9-10-13-19-29-25(27)22-16-14-17-23(20-22)26(28)30-24-18-12-11-15-21(24)2/h14,16-17,20-21,24H,3-13,15,18-19H2,1-2H3
- InChI Key
- NWLKURLKARMJMS-UHFFFAOYSA-N
- Formula
- C26H40O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1cccc(C(=O)O
C2CCCCC2C)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° | -180.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -810.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.84 | kJ/mol | Joback Calculated Property |
| log10WS | -8.42 | Crippen Calculated Property | |
| logPoct/wat | 7.110 | Crippen Calculated Property | |
| McVol | 357.460 | ml/mol | McGowan Calculated Property |
| Pc | 1018.13 | kPa | Joback Calculated Property |
| Inp | [3194.00; 3194.00] |
|
|
| Inp | 3194.00 | NIST | |
| Inp | 3194.00 | NIST | |
| Tboil | 993.40 | K | Joback Calculated Property |
| Tc | 1217.53 | K | Joback Calculated Property |
| Tfus | 569.18 | K | Joback Calculated Property |
| Vc | 1.363 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1242.81; 1317.07] | J/mol×K | [993.40; 1217.53] |
|
| Cp,gas | 1242.81 | J/mol×K | 993.40 | Joback Calculated Property |
| Cp,gas | 1259.56 | J/mol×K | 1030.76 | Joback Calculated Property |
| Cp,gas | 1274.49 | J/mol×K | 1068.11 | Joback Calculated Property |
| Cp,gas | 1287.67 | J/mol×K | 1105.47 | Joback Calculated Property |
| Cp,gas | 1299.12 | J/mol×K | 1142.82 | Joback Calculated Property |
| Cp,gas | 1308.91 | J/mol×K | 1180.18 | Joback Calculated Property |
| Cp,gas | 1317.07 | J/mol×K | 1217.53 | Joback Calculated Property |
| η | [0.0000314; 0.0003892] | Pa×s | [569.18; 993.40] |
|
| η | 0.0003892 | Pa×s | 569.18 | Joback Calculated Property |
| η | 0.0002030 | Pa×s | 639.88 | Joback Calculated Property |
| η | 0.0001205 | Pa×s | 710.59 | Joback Calculated Property |
| η | 0.0000786 | Pa×s | 781.29 | Joback Calculated Property |
| η | 0.0000550 | Pa×s | 851.99 | Joback Calculated Property |
| η | 0.0000407 | Pa×s | 922.70 | Joback Calculated Property |
| η | 0.0000314 | Pa×s | 993.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-methylcyclohexyl undecyl ester.
Sources
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