- InChI
- InChI=1S/C22H34O4/c1-22(2)18-12-11-17(19(22)13-18)15-26-21(24)10-6-9-20(23)25-14-16-7-4-3-5-8-16/h11,16,18-19H,3-10,12-15H2,1-2H3
- InChI Key
- SRNKJFHDUOJIHW-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CC1(C)C2CC=C(COC(=O)CCCC(=O)OC
C3CCCCC3)C1C2 - Molecular Weight1
- 362.50
- 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 | 0.7557 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -889.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.816 | Crippen Calculated Property | |
| McVol | 298.840 | ml/mol | McGowan Calculated Property |
| Pc | 1356.63 | kPa | Joback Calculated Property |
| Inp | [2636.00; 2636.00] |
|
|
| Inp | 2636.00 | NIST | |
| Inp | 2636.00 | NIST | |
| Tboil | 668.23 | K | Relay (1.0) Calculated Property |
| Tc | 918.08 | K | Relay (1.0) Calculated Property |
| Tfus | 344.47 | K | Relay (1.0) Calculated Property |
| Vc | 1.077 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1033.40; 1156.03] | J/mol×K | [892.35; 1111.08] |
|
| Cp,gas | 1033.40 | J/mol×K | 892.35 | Joback Calculated Property |
| Cp,gas | 1054.98 | J/mol×K | 928.80 | Joback Calculated Property |
| Cp,gas | 1075.89 | J/mol×K | 965.26 | Joback Calculated Property |
| Cp,gas | 1096.29 | J/mol×K | 1001.71 | Joback Calculated Property |
| Cp,gas | 1116.34 | J/mol×K | 1038.17 | Joback Calculated Property |
| Cp,gas | 1136.20 | J/mol×K | 1074.62 | Joback Calculated Property |
| Cp,gas | 1156.03 | J/mol×K | 1111.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, myrtenyl cyclohexylmethyl ester.
Sources
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