- InChI
- InChI=1S/C25H42O4/c1-5-6-7-8-9-10-12-19(2)29-24(27)14-11-13-23(26)28-18-20-15-16-21-17-22(20)25(21,3)4/h15,19,21-22H,5-14,16-18H2,1-4H3
- InChI Key
- FRCFUZJNIZONDC-UHFFFAOYSA-N
- Formula
- C25H42O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)OCC1
=CCC2CC1C2(C)C - Molecular Weight1
- 406.60
- 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° | -194.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -873.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.66 | kJ/mol | Joback Calculated Property |
| log10WS | -7.04 | Crippen Calculated Property | |
| logPoct/wat | 6.375 | Crippen Calculated Property | |
| McVol | 351.970 | ml/mol | McGowan Calculated Property |
| Pc | 976.56 | kPa | Joback Calculated Property |
| Inp | [2714.00; 2714.00] |
|
|
| Inp | 2714.00 | NIST | |
| Inp | 2714.00 | NIST | |
| Tboil | 941.00 | K | Joback Calculated Property |
| Tc | 1152.68 | K | Joback Calculated Property |
| Tfus | 566.13 | K | Joback Calculated Property |
| Vc | 1.367 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1227.83; 1360.37] | J/mol×K | [941.00; 1152.68] |
|
| Cp,gas | 1227.83 | J/mol×K | 941.00 | Joback Calculated Property |
| Cp,gas | 1250.56 | J/mol×K | 976.28 | Joback Calculated Property |
| Cp,gas | 1272.84 | J/mol×K | 1011.56 | Joback Calculated Property |
| Cp,gas | 1294.80 | J/mol×K | 1046.84 | Joback Calculated Property |
| Cp,gas | 1316.61 | J/mol×K | 1082.12 | Joback Calculated Property |
| Cp,gas | 1338.42 | J/mol×K | 1117.40 | Joback Calculated Property |
| Cp,gas | 1360.37 | J/mol×K | 1152.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, myrtenyl dec-2-yl ester.
Sources
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