- InChI
- InChI=1S/C21H34O4/c1-6-7-8-9-15-24-20(22)11-10-12-21(23)25-19(16-18(4)5)14-13-17(2)3/h18-19H,2,6-12,15-16H2,1,3-5H3
- InChI Key
- IOFBGBBGNVMANP-UHFFFAOYSA-N
- Formula
- C21H34O4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)CCCC(=
O)OCCCCCC - Molecular Weight1
- 350.49
- 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° | -64.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -588.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.44 | kJ/mol | Joback Calculated Property |
| log10WS | -5.86 | Crippen Calculated Property | |
| logPoct/wat | 4.818 | Crippen Calculated Property | |
| McVol | 308.730 | ml/mol | McGowan Calculated Property |
| Pc | 1173.63 | kPa | Joback Calculated Property |
| Inp | 2271.00 | NIST | |
| Tboil | 837.14 | K | Joback Calculated Property |
| Tc | 1034.39 | K | Joback Calculated Property |
| Tfus | 531.13 | K | Joback Calculated Property |
| Vc | 1.192 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [953.10; 1041.66] | J/mol×K | [837.14; 1034.39] | 
|
| Cp,gas | 953.10 | J/mol×K | 837.14 | Joback Calculated Property |
| Cp,gas | 970.57 | J/mol×K | 870.02 | Joback Calculated Property |
| Cp,gas | 986.93 | J/mol×K | 902.89 | Joback Calculated Property |
| Cp,gas | 1002.19 | J/mol×K | 935.77 | Joback Calculated Property |
| Cp,gas | 1016.39 | J/mol×K | 968.64 | Joback Calculated Property |
| Cp,gas | 1029.53 | J/mol×K | 1001.52 | Joback Calculated Property |
| Cp,gas | 1041.66 | J/mol×K | 1034.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl hexyl ester.
Sources
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