- InChI
- InChI=1S/C24H30O5/c1-19(2)9-8-16-27-23(25)14-7-15-24(26)28-18-20-10-6-13-22(17-20)29-21-11-4-3-5-12-21/h3-6,10-13,17,19H,7-9,14-16,18H2,1-2H3
- InChI Key
- YMFVYDUJXMLPNX-UHFFFAOYSA-N
- Formula
- C24H30O5
- SMILES
-
CC(C)CCCOC(=O)CCCC(=O)OCc1cccc
(Oc2ccccc2)c1 - Molecular Weight1
- 398.49
- 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 | 1.0228 | Relay (1.0) Calculated Property | |
| ΔfG° | -208.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -820.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.672 | Crippen Calculated Property | |
| McVol | 322.250 | ml/mol | McGowan Calculated Property |
| Pc | 1282.83 | kPa | Joback Calculated Property |
| Inp | 3036.00 | NIST | |
| Tboil | 704.23 | K | Relay (1.0) Calculated Property |
| Tc | 924.43 | K | Relay (1.0) Calculated Property |
| Tfus | 297.12 | K | Relay (1.0) Calculated Property |
| Vc | 1.176 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1044.62; 1103.11] | J/mol×K | [981.42; 1207.31] | 
|
| Cp,gas | 1044.62 | J/mol×K | 981.42 | Joback Calculated Property |
| Cp,gas | 1058.15 | J/mol×K | 1019.07 | Joback Calculated Property |
| Cp,gas | 1070.11 | J/mol×K | 1056.72 | Joback Calculated Property |
| Cp,gas | 1080.55 | J/mol×K | 1094.36 | Joback Calculated Property |
| Cp,gas | 1089.51 | J/mol×K | 1132.01 | Joback Calculated Property |
| Cp,gas | 1097.02 | J/mol×K | 1169.66 | Joback Calculated Property |
| Cp,gas | 1103.11 | J/mol×K | 1207.31 | Joback Calculated Property |
| η | [0.0000214; 0.0002575] | Pa×s | [577.15; 981.42] |
|
| η | 0.0002575 | Pa×s | 577.15 | Joback Calculated Property |
| η | 0.0001370 | Pa×s | 644.53 | Joback Calculated Property |
| η | 0.0000822 | Pa×s | 711.91 | Joback Calculated Property |
| η | 0.0000538 | Pa×s | 779.28 | Joback Calculated Property |
| η | 0.0000377 | Pa×s | 846.66 | Joback Calculated Property |
| η | 0.0000279 | Pa×s | 914.04 | Joback Calculated Property |
| η | 0.0000214 | Pa×s | 981.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isohexyl 3-phenoxybenzyl ester.
Sources
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