- InChI
- InChI=1S/C30H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-24-33-29(31)20-19-21-30(32)34-28(25-27(4)5)23-22-26(2)3/h27-28H,2,6-21,24-25H2,1,3-5H3
- InChI Key
- RCHKNFNBVSNEBW-UHFFFAOYSA-N
- Formula
- C30H52O4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)CCCC(=
O)OCCCCCCCCCCCCCCC - Molecular Weight1
- 476.73
- 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° | 11.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -774.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.47 | kJ/mol | Joback Calculated Property |
| log10WS | -9.62 | Crippen Calculated Property | |
| logPoct/wat | 8.329 | Crippen Calculated Property | |
| McVol | 435.540 | ml/mol | McGowan Calculated Property |
| Pc | 698.76 | kPa | Joback Calculated Property |
| Inp | [3174.00; 3174.00] |
|
|
| Inp | 3174.00 | NIST | |
| Inp | 3174.00 | NIST | |
| Tboil | 1043.06 | K | Joback Calculated Property |
| Tc | 1287.99 | K | Joback Calculated Property |
| Tfus | 632.56 | K | Joback Calculated Property |
| Vc | 1.696 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1517.19; 1612.96] | J/mol×K | [1043.06; 1287.99] |
|
| Cp,gas | 1517.19 | J/mol×K | 1043.06 | Joback Calculated Property |
| Cp,gas | 1537.76 | J/mol×K | 1083.88 | Joback Calculated Property |
| Cp,gas | 1556.37 | J/mol×K | 1124.70 | Joback Calculated Property |
| Cp,gas | 1573.11 | J/mol×K | 1165.53 | Joback Calculated Property |
| Cp,gas | 1588.06 | J/mol×K | 1206.35 | Joback Calculated Property |
| Cp,gas | 1601.32 | J/mol×K | 1247.17 | Joback Calculated Property |
| Cp,gas | 1612.96 | J/mol×K | 1287.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentadecyl ester.
Sources
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