- InChI
- InChI=1S/C30H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-33-29(31)27-21-18-22-28(24-27)30(32)34-25-26-19-15-16-20-26/h18,21-22,24,26H,2-17,19-20,23,25H2,1H3
- InChI Key
- HSMQLJVFGDINKE-UHFFFAOYSA-N
- Formula
- C30H48O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1cccc(C
(=O)OCC2CCCC2)c1 - Molecular Weight1
- 472.70
- 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° | -126.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -866.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.88 | kJ/mol | Joback Calculated Property |
| log10WS | -9.98 | Crippen Calculated Property | |
| logPoct/wat | 8.672 | Crippen Calculated Property | |
| McVol | 413.820 | ml/mol | McGowan Calculated Property |
| Pc | 811.68 | kPa | Joback Calculated Property |
| Inp | [3740.00; 3740.00] |
|
|
| Inp | 3740.00 | NIST | |
| Inp | 3740.00 | NIST | |
| Tboil | 1085.32 | K | Joback Calculated Property |
| Tc | 1334.08 | K | Joback Calculated Property |
| Tfus | 622.02 | K | Joback Calculated Property |
| Vc | 1.597 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1486.81; 1565.79] | J/mol×K | [1085.32; 1334.08] |
|
| Cp,gas | 1486.81 | J/mol×K | 1085.32 | Joback Calculated Property |
| Cp,gas | 1504.48 | J/mol×K | 1126.78 | Joback Calculated Property |
| Cp,gas | 1520.20 | J/mol×K | 1168.24 | Joback Calculated Property |
| Cp,gas | 1534.08 | J/mol×K | 1209.70 | Joback Calculated Property |
| Cp,gas | 1546.24 | J/mol×K | 1251.16 | Joback Calculated Property |
| Cp,gas | 1556.77 | J/mol×K | 1292.62 | Joback Calculated Property |
| Cp,gas | 1565.79 | J/mol×K | 1334.08 | Joback Calculated Property |
| η | [0.0000189; 0.0002508] | Pa×s | [622.02; 1085.32] |
|
| η | 0.0002508 | Pa×s | 622.02 | Joback Calculated Property |
| η | 0.0001285 | Pa×s | 699.24 | Joback Calculated Property |
| η | 0.0000752 | Pa×s | 776.45 | Joback Calculated Property |
| η | 0.0000485 | Pa×s | 853.67 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 930.89 | Joback Calculated Property |
| η | 0.0000247 | Pa×s | 1008.10 | Joback Calculated Property |
| η | 0.0000189 | Pa×s | 1085.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cyclopentylmethyl hexadecyl ester.
Sources
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