- InChI
- InChI=1S/C24H28O5/c1-2-3-4-5-6-7-10-16-28-23(26)19-13-11-14-20(17-19)24(27)29-22-15-9-8-12-21(22)18-25/h8-9,11-15,17-18H,2-7,10,16H2,1H3
- InChI Key
- RAKKQCUXLMYGQH-UHFFFAOYSA-N
- Formula
- C24H28O5
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)Oc2
ccccc2C=O)c1 - Molecular Weight1
- 396.48
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1258 | Relay (1.0) Calculated Property | |
| ΔfG° | -210.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.626 | Crippen Calculated Property | |
| McVol | 317.950 | ml/mol | McGowan Calculated Property |
| Pc | 1347.68 | kPa | Joback Calculated Property |
| Inp | [3277.00; 3277.00] |
|
|
| Inp | 3277.00 | NIST | |
| Inp | 3277.00 | NIST | |
| Tboil | 694.32 | K | Relay (1.0) Calculated Property |
| Tc | 971.01 | K | Relay (1.0) Calculated Property |
| Tfus | 316.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.173 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1024.68; 1077.32] | J/mol×K | [1013.08; 1243.64] |
|
| Cp,gas | 1024.68 | J/mol×K | 1013.08 | Joback Calculated Property |
| Cp,gas | 1036.86 | J/mol×K | 1051.51 | Joback Calculated Property |
| Cp,gas | 1047.61 | J/mol×K | 1089.93 | Joback Calculated Property |
| Cp,gas | 1056.98 | J/mol×K | 1128.36 | Joback Calculated Property |
| Cp,gas | 1065.02 | J/mol×K | 1166.79 | Joback Calculated Property |
| Cp,gas | 1071.79 | J/mol×K | 1205.22 | Joback Calculated Property |
| Cp,gas | 1077.32 | J/mol×K | 1243.64 | Joback Calculated Property |
| η | [0.0000349; 0.0002927] | Pa×s | [624.44; 1013.08] |
|
| η | 0.0002927 | Pa×s | 624.44 | Joback Calculated Property |
| η | 0.0001738 | Pa×s | 689.21 | Joback Calculated Property |
| η | 0.0001129 | Pa×s | 753.99 | Joback Calculated Property |
| η | 0.0000785 | Pa×s | 818.76 | Joback Calculated Property |
| η | 0.0000575 | Pa×s | 883.53 | Joback Calculated Property |
| η | 0.0000440 | Pa×s | 948.31 | Joback Calculated Property |
| η | 0.0000349 | Pa×s | 1013.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-formylphenyl nonyl ester.
Sources
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