- InChI
- InChI=1S/C26H34O5/c1-4-5-6-7-8-9-12-18-29-25(27)21-14-13-15-22(19-21)26(28)31-24-17-11-10-16-23(24)30-20(2)3/h10-11,13-17,19-20H,4-9,12,18H2,1-3H3
- InChI Key
- VTRWEFPEXDTZIN-UHFFFAOYSA-N
- Formula
- C26H34O5
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)Oc2
ccccc2OC(C)C)c1 - Molecular Weight1
- 426.55
- 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° | -201.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -756.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.68 | kJ/mol | Joback Calculated Property |
| log10WS | -8.22 | Crippen Calculated Property | |
| logPoct/wat | 6.600 | Crippen Calculated Property | |
| McVol | 350.430 | ml/mol | McGowan Calculated Property |
| Pc | 1111.85 | kPa | Joback Calculated Property |
| Inp | [3216.00; 3216.00] |
|
|
| Inp | 3216.00 | NIST | |
| Inp | 3216.00 | NIST | |
| Tboil | 1032.16 | K | Joback Calculated Property |
| Tc | 1264.50 | K | Joback Calculated Property |
| Tfus | 612.21 | K | Joback Calculated Property |
| Vc | 1.335 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1163.99; 1218.29] | J/mol×K | [1032.16; 1264.50] |
|
| Cp,gas | 1163.99 | J/mol×K | 1032.16 | Joback Calculated Property |
| Cp,gas | 1177.23 | J/mol×K | 1070.88 | Joback Calculated Property |
| Cp,gas | 1188.74 | J/mol×K | 1109.61 | Joback Calculated Property |
| Cp,gas | 1198.57 | J/mol×K | 1148.33 | Joback Calculated Property |
| Cp,gas | 1206.74 | J/mol×K | 1187.05 | Joback Calculated Property |
| Cp,gas | 1213.30 | J/mol×K | 1225.78 | Joback Calculated Property |
| Cp,gas | 1218.29 | J/mol×K | 1264.50 | Joback Calculated Property |
| η | [0.0000162; 0.0001801] | Pa×s | [612.21; 1032.16] |
|
| η | 0.0001801 | Pa×s | 612.21 | Joback Calculated Property |
| η | 0.0000982 | Pa×s | 682.20 | Joback Calculated Property |
| η | 0.0000599 | Pa×s | 752.19 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 822.18 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 892.18 | Joback Calculated Property |
| η | 0.0000210 | Pa×s | 962.17 | Joback Calculated Property |
| η | 0.0000162 | Pa×s | 1032.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-isopropoxyphenyl nonyl ester.
Sources
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