- InChI
- InChI=1S/C24H30O5/c1-4-5-6-7-10-16-27-23(25)19-12-11-13-20(17-19)24(26)29-22-15-9-8-14-21(22)28-18(2)3/h8-9,11-15,17-18H,4-7,10,16H2,1-3H3
- InChI Key
- ABJNFWZFZDRXBH-UHFFFAOYSA-N
- Formula
- C24H30O5
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)Oc2cc
ccc2OC(C)C)c1 - Molecular Weight1
- 398.49
- 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° | -218.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -715.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.23 | kJ/mol | Joback Calculated Property |
| log10WS | -7.38 | Crippen Calculated Property | |
| logPoct/wat | 5.820 | Crippen Calculated Property | |
| McVol | 322.250 | ml/mol | McGowan Calculated Property |
| Pc | 1269.16 | kPa | Joback Calculated Property |
| Inp | [3008.00; 3008.00] |
|
|
| Inp | 3008.00 | NIST | |
| Inp | 3008.00 | NIST | |
| Tboil | 986.40 | K | Joback Calculated Property |
| Tc | 1213.19 | K | Joback Calculated Property |
| Tfus | 589.67 | K | Joback Calculated Property |
| Vc | 1.224 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1043.46; 1100.29] | J/mol×K | [986.40; 1213.19] |
|
| Cp,gas | 1043.46 | J/mol×K | 986.40 | Joback Calculated Property |
| Cp,gas | 1056.82 | J/mol×K | 1024.20 | Joback Calculated Property |
| Cp,gas | 1068.59 | J/mol×K | 1062.00 | Joback Calculated Property |
| Cp,gas | 1078.79 | J/mol×K | 1099.80 | Joback Calculated Property |
| Cp,gas | 1087.45 | J/mol×K | 1137.60 | Joback Calculated Property |
| Cp,gas | 1094.61 | J/mol×K | 1175.39 | Joback Calculated Property |
| Cp,gas | 1100.29 | J/mol×K | 1213.19 | Joback Calculated Property |
| η | [0.0000220; 0.0002281] | Pa×s | [589.67; 986.40] |
|
| η | 0.0002281 | Pa×s | 589.67 | Joback Calculated Property |
| η | 0.0001269 | Pa×s | 655.79 | Joback Calculated Property |
| η | 0.0000786 | Pa×s | 721.91 | Joback Calculated Property |
| η | 0.0000527 | Pa×s | 788.04 | Joback Calculated Property |
| η | 0.0000376 | Pa×s | 854.16 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 920.28 | Joback Calculated Property |
| η | 0.0000220 | Pa×s | 986.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, heptyl 2-isopropoxyphenyl ester.
Sources
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