- InChI
- InChI=1S/C21H34O4/c1-6-18(14(2)3)25-20(23)9-7-8-19(22)24-13-15-10-11-16-12-17(15)21(16,4)5/h10,14,16-18H,6-9,11-13H2,1-5H3
- InChI Key
- QBQDMMHIMWCVRZ-UHFFFAOYSA-N
- Formula
- C21H34O4
- SMILES
-
CCC(OC(=O)CCCC(=O)OCC1=CCC2CC1
C2(C)C)C(C)C - Molecular Weight1
- 350.49
- 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 | 0.7580 | Relay (1.0) Calculated Property | |
| ΔfG° | -230.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -890.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.670 | Crippen Calculated Property | |
| McVol | 295.610 | ml/mol | McGowan Calculated Property |
| Pc | 1268.25 | kPa | Joback Calculated Property |
| Inp | [2289.00; 2289.00] |
|
|
| Inp | 2289.00 | NIST | |
| Inp | 2289.00 | NIST | |
| Tboil | 624.50 | K | Relay (1.0) Calculated Property |
| Tc | 859.85 | K | Relay (1.0) Calculated Property |
| Tfus | 325.27 | K | Relay (1.0) Calculated Property |
| Vc | 1.053 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [974.78; 1088.46] | J/mol×K | [849.04; 1053.41] |
|
| Cp,gas | 974.78 | J/mol×K | 849.04 | Joback Calculated Property |
| Cp,gas | 994.81 | J/mol×K | 883.10 | Joback Calculated Property |
| Cp,gas | 1014.24 | J/mol×K | 917.16 | Joback Calculated Property |
| Cp,gas | 1033.19 | J/mol×K | 951.23 | Joback Calculated Property |
| Cp,gas | 1051.80 | J/mol×K | 985.29 | Joback Calculated Property |
| Cp,gas | 1070.18 | J/mol×K | 1019.35 | Joback Calculated Property |
| Cp,gas | 1088.46 | J/mol×K | 1053.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, myrtenyl 2-methylpent-3-yl ester.
Sources
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