- InChI
- InChI=1S/C22H36O4/c1-5-6-7-9-16(2)26-21(24)11-8-10-20(23)25-15-17-12-13-18-14-19(17)22(18,3)4/h12,16,18-19H,5-11,13-15H2,1-4H3
- InChI Key
- XLHBWRKUCOTMRG-UHFFFAOYSA-N
- Formula
- C22H36O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)OCC1=CC
C2CC1C2(C)C - Molecular Weight1
- 364.52
- 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 | 0.8234 | Relay (1.0) Calculated Property | |
| ΔfG° | -219.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -911.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.204 | Crippen Calculated Property | |
| McVol | 309.700 | ml/mol | McGowan Calculated Property |
| Pc | 1179.28 | kPa | Joback Calculated Property |
| Inp | [2411.00; 2411.00] |
|
|
| Inp | 2411.00 | NIST | |
| Inp | 2411.00 | NIST | |
| Tboil | 627.52 | K | Relay (1.0) Calculated Property |
| Tc | 868.27 | K | Relay (1.0) Calculated Property |
| Tfus | 314.93 | K | Relay (1.0) Calculated Property |
| Vc | 1.118 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1036.31; 1153.37] | J/mol×K | [872.36; 1075.99] |
|
| Cp,gas | 1036.31 | J/mol×K | 872.36 | Joback Calculated Property |
| Cp,gas | 1056.78 | J/mol×K | 906.30 | Joback Calculated Property |
| Cp,gas | 1076.69 | J/mol×K | 940.24 | Joback Calculated Property |
| Cp,gas | 1096.18 | J/mol×K | 974.17 | Joback Calculated Property |
| Cp,gas | 1115.37 | J/mol×K | 1008.11 | Joback Calculated Property |
| Cp,gas | 1134.39 | J/mol×K | 1042.05 | Joback Calculated Property |
| Cp,gas | 1153.37 | J/mol×K | 1075.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, myrtenyl hept-2-yl ester.
Sources
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