- InChI
- InChI=1S/C20H30O4/c1-14(2)10-11-23-18(21)6-5-7-19(22)24-13-15-8-9-16-12-17(15)20(16,3)4/h8,10,16-17H,5-7,9,11-13H2,1-4H3
- InChI Key
- FBIYGECHKBFKQA-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CC(C)=CCOC(=O)CCCC(=O)OCC1=CCC
2CC1C2(C)C - Molecular Weight1
- 334.45
- 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).
- 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° | -162.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -657.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.96 | kJ/mol | Joback Calculated Property |
| log10WS | -4.69 | Crippen Calculated Property | |
| logPoct/wat | 4.202 | Crippen Calculated Property | |
| McVol | 277.220 | ml/mol | McGowan Calculated Property |
| Pc | 1401.69 | kPa | Joback Calculated Property |
| Inp | [2318.00; 2318.00] |
|
|
| Inp | 2318.00 | NIST | |
| Inp | 2318.00 | NIST | |
| Tboil | 831.08 | K | Joback Calculated Property |
| Tc | 1037.74 | K | Joback Calculated Property |
| Tfus | 505.74 | K | Joback Calculated Property |
| Vc | 1.073 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [886.60; 995.81] | J/mol×K | [831.08; 1037.74] |
|
| Cp,gas | 886.60 | J/mol×K | 831.08 | Joback Calculated Property |
| Cp,gas | 905.60 | J/mol×K | 865.52 | Joback Calculated Property |
| Cp,gas | 924.10 | J/mol×K | 899.97 | Joback Calculated Property |
| Cp,gas | 942.22 | J/mol×K | 934.41 | Joback Calculated Property |
| Cp,gas | 960.13 | J/mol×K | 968.85 | Joback Calculated Property |
| Cp,gas | 977.94 | J/mol×K | 1003.30 | Joback Calculated Property |
| Cp,gas | 995.81 | J/mol×K | 1037.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, myrtenyl 3-methylbut-2-en-1-yl ester.
Sources
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