- InChI
- InChI=1S/C21H36O4/c1-5-7-9-10-11-16-24-20(22)14-12-15-21(23)25-19(13-8-6-2)17-18(3)4/h18-19H,5-7,9-12,14-17H2,1-4H3
- InChI Key
- APVBEXAVCUMEJR-UHFFFAOYSA-N
- Formula
- C21H36O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCCC(=O)OC
CCCCCC - Molecular Weight1
- 352.51
- 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° | -143.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -704.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.03 | kJ/mol | Joback Calculated Property |
| log10WS | -6.00 | Crippen Calculated Property | |
| logPoct/wat | 5.042 | Crippen Calculated Property | |
| McVol | 313.030 | ml/mol | McGowan Calculated Property |
| Pc | 1136.73 | kPa | Joback Calculated Property |
| Inp | 3464.00 | NIST | |
| Tboil | 840.58 | K | Joback Calculated Property |
| Tc | 1035.64 | K | Joback Calculated Property |
| Tfus | 546.85 | K | Joback Calculated Property |
| Vc | 1.210 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [980.96; 1071.30] | J/mol×K | [840.58; 1035.64] | 
|
| Cp,gas | 980.96 | J/mol×K | 840.58 | Joback Calculated Property |
| Cp,gas | 998.81 | J/mol×K | 873.09 | Joback Calculated Property |
| Cp,gas | 1015.52 | J/mol×K | 905.60 | Joback Calculated Property |
| Cp,gas | 1031.10 | J/mol×K | 938.11 | Joback Calculated Property |
| Cp,gas | 1045.58 | J/mol×K | 970.62 | Joback Calculated Property |
| Cp,gas | 1058.97 | J/mol×K | 1003.13 | Joback Calculated Property |
| Cp,gas | 1071.30 | J/mol×K | 1035.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, heptyl 2-methyloct-5-yn-4-yl ester.
Sources
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