- InChI
- InChI=1S/C25H36O4/c1-18(2)12-14-22(16-20(5)6)28-24(26)10-9-11-25(27)29-23(17-21(7)8)15-13-19(3)4/h20-23H,1,3,9-11,16-17H2,2,4-8H3
- InChI Key
- LLWKXBOEWFLNHR-UHFFFAOYSA-N
- Formula
- C25H36O4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)CCCC(=
O)OC(C#CC(=C)C)CC(C)C - Molecular Weight1
- 400.55
- 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° | 246.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.13 | kJ/mol | Joback Calculated Property |
| log10WS | -7.05 | Crippen Calculated Property | |
| logPoct/wat | 5.231 | Crippen Calculated Property | |
| McVol | 352.190 | ml/mol | McGowan Calculated Property |
| Pc | 1054.14 | kPa | Joback Calculated Property |
| Inp | 2443.00 | NIST | |
| Tboil | 933.34 | K | Joback Calculated Property |
| Tc | 1150.42 | K | Joback Calculated Property |
| Tfus | 636.59 | K | Joback Calculated Property |
| Vc | 1.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1115.71; 1200.12] | J/mol×K | [933.34; 1150.42] | 
|
| Cp,gas | 1115.71 | J/mol×K | 933.34 | Joback Calculated Property |
| Cp,gas | 1132.98 | J/mol×K | 969.52 | Joback Calculated Property |
| Cp,gas | 1148.91 | J/mol×K | 1005.70 | Joback Calculated Property |
| Cp,gas | 1163.54 | J/mol×K | 1041.88 | Joback Calculated Property |
| Cp,gas | 1176.93 | J/mol×K | 1078.06 | Joback Calculated Property |
| Cp,gas | 1189.11 | J/mol×K | 1114.24 | Joback Calculated Property |
| Cp,gas | 1200.12 | J/mol×K | 1150.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2,7-dimethyloct-5-yn-7-en-4-yl) ester.
Sources
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