- InChI
- InChI=1S/C28H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-31-27(29)23-21-24-28(30)32-26(6-3)22-5-2/h26H,4,6-21,23-25H2,1-3H3
- InChI Key
- CAGHCEVQZSTNQB-UHFFFAOYSA-N
- Formula
- C28H50O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OCCCCCC
CCCCCCCCCCC - Molecular Weight1
- 450.69
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1775 | Relay (1.0) Calculated Property | |
| ΔfG° | -82.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -965.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.916 | Crippen Calculated Property | |
| McVol | 411.660 | ml/mol | McGowan Calculated Property |
| Pc | 752.26 | kPa | Joback Calculated Property |
| Inp | 3178.00 | NIST | |
| Tboil | 660.21 | K | Relay (1.0) Calculated Property |
| Tc | 852.05 | K | Relay (1.0) Calculated Property |
| Tfus | 325.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.543 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1418.98; 1515.12] | J/mol×K | [1001.18; 1232.66] | 
|
| Cp,gas | 1418.98 | J/mol×K | 1001.18 | Joback Calculated Property |
| Cp,gas | 1439.36 | J/mol×K | 1039.76 | Joback Calculated Property |
| Cp,gas | 1457.92 | J/mol×K | 1078.34 | Joback Calculated Property |
| Cp,gas | 1474.71 | J/mol×K | 1116.92 | Joback Calculated Property |
| Cp,gas | 1489.80 | J/mol×K | 1155.50 | Joback Calculated Property |
| Cp,gas | 1503.25 | J/mol×K | 1194.08 | Joback Calculated Property |
| Cp,gas | 1515.12 | J/mol×K | 1232.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, heptadecyl hex-4-yn-3-yl ester.
Sources
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