- InChI
- InChI=1S/C31H52O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-25-34-30(32)28-23-21-24-29(26-28)31(33)35-27(3)22-19-7-5-2/h21,23-24,26-27H,4-20,22,25H2,1-3H3
- InChI Key
- PREBMEDFNLRDOE-UHFFFAOYSA-N
- Formula
- C31H52O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1cccc(C
(=O)OC(C)CCCCC)c1 - Molecular Weight1
- 488.74
- Other Names
-
- Isophthalic acid, hexadecyl hex-3-yl ester
- 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° | -157.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -952.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 71.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.46 | kJ/mol | Joback Calculated Property |
| log10WS | -10.86 | Crippen Calculated Property | |
| logPoct/wat | 9.450 | Crippen Calculated Property | |
| McVol | 438.770 | ml/mol | McGowan Calculated Property |
| Pc | 700.61 | kPa | Joback Calculated Property |
| Inp | [3454.00; 3454.00] |
|
|
| Inp | 3454.00 | NIST | |
| Inp | 3454.00 | NIST | |
| Tboil | 1092.48 | K | Joback Calculated Property |
| Tc | 1356.26 | K | Joback Calculated Property |
| Tfus | 607.39 | K | Joback Calculated Property |
| Vc | 1.706 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1560.96; 1644.50] | J/mol×K | [1092.48; 1356.26] |
|
| Cp,gas | 1560.96 | J/mol×K | 1092.48 | Joback Calculated Property |
| Cp,gas | 1580.15 | J/mol×K | 1136.44 | Joback Calculated Property |
| Cp,gas | 1597.09 | J/mol×K | 1180.41 | Joback Calculated Property |
| Cp,gas | 1611.87 | J/mol×K | 1224.37 | Joback Calculated Property |
| Cp,gas | 1624.62 | J/mol×K | 1268.34 | Joback Calculated Property |
| Cp,gas | 1635.46 | J/mol×K | 1312.30 | Joback Calculated Property |
| Cp,gas | 1644.50 | J/mol×K | 1356.26 | Joback Calculated Property |
| η | [0.0000095; 0.0001743] | Pa×s | [607.39; 1092.48] |
|
| η | 0.0001743 | Pa×s | 607.39 | Joback Calculated Property |
| η | 0.0000806 | Pa×s | 688.24 | Joback Calculated Property |
| η | 0.0000439 | Pa×s | 769.09 | Joback Calculated Property |
| η | 0.0000268 | Pa×s | 849.93 | Joback Calculated Property |
| η | 0.0000178 | Pa×s | 930.78 | Joback Calculated Property |
| η | 0.0000127 | Pa×s | 1011.63 | Joback Calculated Property |
| η | 0.0000095 | Pa×s | 1092.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-heptyl hexadecyl ester.
Sources
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