- InChI
- InChI=1S/C23H36O5/c1-19(2)9-8-16-27-22(24)12-7-13-23(25)28-18-15-21(14-17-26-3)20-10-5-4-6-11-20/h4-6,10-11,19,21H,7-9,12-18H2,1-3H3
- InChI Key
- ASLXNDLDXPUOHE-UHFFFAOYSA-N
- Formula
- C23H36O5
- SMILES
-
COCCC(CCOC(=O)CCCC(=O)OCCCC(C)
C)c1ccccc1 - Molecular Weight1
- 392.53
- 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° | -322.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -913.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.01 | kJ/mol | Joback Calculated Property |
| log10WS | -5.09 | Crippen Calculated Property | |
| logPoct/wat | 4.890 | Crippen Calculated Property | |
| McVol | 331.920 | ml/mol | McGowan Calculated Property |
| Pc | 1108.15 | kPa | Joback Calculated Property |
| Inp | 2764.00 | NIST | |
| Tboil | 926.44 | K | Joback Calculated Property |
| Tc | 1136.10 | K | Joback Calculated Property |
| Tfus | 511.94 | K | Joback Calculated Property |
| Vc | 1.270 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1089.36; 1166.02] | J/mol×K | [926.44; 1136.10] | 
|
| Cp,gas | 1089.36 | J/mol×K | 926.44 | Joback Calculated Property |
| Cp,gas | 1105.67 | J/mol×K | 961.38 | Joback Calculated Property |
| Cp,gas | 1120.53 | J/mol×K | 996.33 | Joback Calculated Property |
| Cp,gas | 1133.97 | J/mol×K | 1031.27 | Joback Calculated Property |
| Cp,gas | 1146.01 | J/mol×K | 1066.21 | Joback Calculated Property |
| Cp,gas | 1156.69 | J/mol×K | 1101.15 | Joback Calculated Property |
| Cp,gas | 1166.02 | J/mol×K | 1136.10 | Joback Calculated Property |
| η | [0.0000216; 0.0004388] | Pa×s | [511.94; 926.44] |
|
| η | 0.0004388 | Pa×s | 511.94 | Joback Calculated Property |
| η | 0.0001972 | Pa×s | 581.02 | Joback Calculated Property |
| η | 0.0001051 | Pa×s | 650.11 | Joback Calculated Property |
| η | 0.0000632 | Pa×s | 719.19 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 788.27 | Joback Calculated Property |
| η | 0.0000292 | Pa×s | 857.36 | Joback Calculated Property |
| η | 0.0000216 | Pa×s | 926.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isohexyl 5-methoxy-3-phenylpentyl ester.
Sources
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