- InChI
- InChI=1S/C26H34O4/c1-4-5-6-7-8-9-10-18-29-25(27)22-12-11-13-23(19-22)26(28)30-24-16-14-21(15-17-24)20(2)3/h11-17,19-20H,4-10,18H2,1-3H3
- InChI Key
- MCOKYPUIUFICII-UHFFFAOYSA-N
- Formula
- C26H34O4
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)Oc2
ccc(C(C)C)cc2)c1 - Molecular Weight1
- 410.55
- 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° | -96.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -624.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.27 | kJ/mol | Joback Calculated Property |
| log10WS | -8.33 | Crippen Calculated Property | |
| logPoct/wat | 6.937 | Crippen Calculated Property | |
| McVol | 344.560 | ml/mol | McGowan Calculated Property |
| Pc | 1124.57 | kPa | Joback Calculated Property |
| Inp | [3312.00; 3312.00] |
|
|
| Inp | 3312.00 | NIST | |
| Inp | 3312.00 | NIST | |
| Tboil | 1009.74 | K | Joback Calculated Property |
| Tc | 1238.66 | K | Joback Calculated Property |
| Tfus | 589.98 | K | Joback Calculated Property |
| Vc | 1.317 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1137.07; 1201.75] | J/mol×K | [1009.74; 1238.66] |
|
| Cp,gas | 1137.07 | J/mol×K | 1009.74 | Joback Calculated Property |
| Cp,gas | 1151.47 | J/mol×K | 1047.89 | Joback Calculated Property |
| Cp,gas | 1164.36 | J/mol×K | 1086.05 | Joback Calculated Property |
| Cp,gas | 1175.77 | J/mol×K | 1124.20 | Joback Calculated Property |
| Cp,gas | 1185.76 | J/mol×K | 1162.35 | Joback Calculated Property |
| Cp,gas | 1194.41 | J/mol×K | 1200.50 | Joback Calculated Property |
| Cp,gas | 1201.75 | J/mol×K | 1238.66 | Joback Calculated Property |
| η | [0.0000220; 0.0002590] | Pa×s | [589.98; 1009.74] |
|
| η | 0.0002590 | Pa×s | 589.98 | Joback Calculated Property |
| η | 0.0001382 | Pa×s | 659.94 | Joback Calculated Property |
| η | 0.0000831 | Pa×s | 729.90 | Joback Calculated Property |
| η | 0.0000547 | Pa×s | 799.86 | Joback Calculated Property |
| η | 0.0000385 | Pa×s | 869.82 | Joback Calculated Property |
| η | 0.0000285 | Pa×s | 939.78 | Joback Calculated Property |
| η | 0.0000220 | Pa×s | 1009.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-isopropylphenyl nonyl ester.
Sources
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