- InChI
- InChI=1S/C23H38O4/c1-5-7-9-17(6-2)15-26-21(24)10-8-11-22(25)27-16-18-12-13-19-14-20(18)23(19,3)4/h12,17,19-20H,5-11,13-16H2,1-4H3
- InChI Key
- MUXWMNPKPQQYGZ-UHFFFAOYSA-N
- Formula
- C23H38O4
- SMILES
-
CCCCC(CC)COC(=O)CCCC(=O)OCC1=C
CC2CC1C2(C)C - Molecular Weight1
- 378.55
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.8480 | Relay (1.0) Calculated Property | |
| ΔfG° | -210.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -927.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.452 | Crippen Calculated Property | |
| McVol | 323.790 | ml/mol | McGowan Calculated Property |
| Pc | 1105.21 | kPa | Joback Calculated Property |
| Inp | [2538.00; 2538.00] |
|
|
| Inp | 2538.00 | NIST | |
| Inp | 2538.00 | NIST | |
| Tboil | 644.44 | K | Relay (1.0) Calculated Property |
| Tc | 880.31 | K | Relay (1.0) Calculated Property |
| Tfus | 292.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.161 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1099.25; 1220.85] | J/mol×K | [895.24; 1100.70] |
|
| Cp,gas | 1099.25 | J/mol×K | 895.24 | Joback Calculated Property |
| Cp,gas | 1120.39 | J/mol×K | 929.48 | Joback Calculated Property |
| Cp,gas | 1140.99 | J/mol×K | 963.73 | Joback Calculated Property |
| Cp,gas | 1161.21 | J/mol×K | 997.97 | Joback Calculated Property |
| Cp,gas | 1181.17 | J/mol×K | 1032.21 | Joback Calculated Property |
| Cp,gas | 1201.01 | J/mol×K | 1066.46 | Joback Calculated Property |
| Cp,gas | 1220.85 | J/mol×K | 1100.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, myrtenyl 2-ethylhexyl ester.
Sources
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