- InChI
- InChI=1S/C29H46O4/c1-5-6-7-8-9-10-11-12-13-21-32-27(30)23-15-14-16-24(22-23)28(31)33-26-19-17-25(18-20-26)29(2,3)4/h14-16,22,25-26H,5-13,17-21H2,1-4H3
- InChI Key
- HVDFKDMIZOYSRE-UHFFFAOYSA-N
- Formula
- C29H46O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1cccc(C(=O)O
C2CCC(C(C)(C)C)CC2)c1 - Molecular Weight1
- 458.67
- 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° | -152.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -881.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.22 | kJ/mol | Joback Calculated Property |
| log10WS | -9.43 | Crippen Calculated Property | |
| logPoct/wat | 8.136 | Crippen Calculated Property | |
| McVol | 399.730 | ml/mol | McGowan Calculated Property |
| Pc | 863.53 | kPa | Joback Calculated Property |
| Inp | [3440.00; 3440.00] |
|
|
| Inp | 3440.00 | NIST | |
| Inp | 3440.00 | NIST | |
| Tboil | 1058.81 | K | Joback Calculated Property |
| Tc | 1296.32 | K | Joback Calculated Property |
| Tfus | 605.41 | K | Joback Calculated Property |
| Vc | 1.520 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1430.90; 1506.02] | J/mol×K | [1058.81; 1296.32] |
|
| Cp,gas | 1430.90 | J/mol×K | 1058.81 | Joback Calculated Property |
| Cp,gas | 1447.79 | J/mol×K | 1098.40 | Joback Calculated Property |
| Cp,gas | 1462.80 | J/mol×K | 1137.98 | Joback Calculated Property |
| Cp,gas | 1476.04 | J/mol×K | 1177.57 | Joback Calculated Property |
| Cp,gas | 1487.58 | J/mol×K | 1217.15 | Joback Calculated Property |
| Cp,gas | 1497.55 | J/mol×K | 1256.74 | Joback Calculated Property |
| Cp,gas | 1506.02 | J/mol×K | 1296.32 | Joback Calculated Property |
| η | [0.0000149; 0.0002306] | Pa×s | [605.41; 1058.81] |
|
| η | 0.0002306 | Pa×s | 605.41 | Joback Calculated Property |
| η | 0.0001133 | Pa×s | 680.98 | Joback Calculated Property |
| η | 0.0000642 | Pa×s | 756.54 | Joback Calculated Property |
| η | 0.0000403 | Pa×s | 832.11 | Joback Calculated Property |
| η | 0.0000273 | Pa×s | 907.68 | Joback Calculated Property |
| η | 0.0000197 | Pa×s | 983.24 | Joback Calculated Property |
| η | 0.0000149 | Pa×s | 1058.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-tert-butylcyclohexyl undecyl ester.
Sources
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