- InChI
- InChI=1S/C21H36O4/c1-3-5-7-8-9-10-11-12-13-14-19-25-21(23)17-15-16-20(22)24-18-6-4-2/h3-4,6,8-19H2,1-2H3
- InChI Key
- HLZWTPJXYFJEJO-UHFFFAOYSA-N
- Formula
- C21H36O4
- SMILES
-
CCC#CCCCCCCCCOC(=O)CCCC(=O)OCC
CC - Molecular Weight1
- 352.51
- 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 | 0.9631 | Relay (1.0) Calculated Property | |
| ΔfG° | -139.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -831.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.187 | Crippen Calculated Property | |
| McVol | 313.030 | ml/mol | McGowan Calculated Property |
| Pc | 1124.57 | kPa | Joback Calculated Property |
| Inp | [2560.00; 2560.00] |
|
|
| Inp | 2560.00 | NIST | |
| Inp | 2560.00 | NIST | |
| Tboil | 619.63 | K | Relay (1.0) Calculated Property |
| Tc | 806.48 | K | Relay (1.0) Calculated Property |
| Tfus | 282.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.177 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [979.99; 1069.89] | J/mol×K | [841.46; 1034.33] |
|
| Cp,gas | 979.99 | J/mol×K | 841.46 | Joback Calculated Property |
| Cp,gas | 997.66 | J/mol×K | 873.60 | Joback Calculated Property |
| Cp,gas | 1014.23 | J/mol×K | 905.75 | Joback Calculated Property |
| Cp,gas | 1029.72 | J/mol×K | 937.89 | Joback Calculated Property |
| Cp,gas | 1044.15 | J/mol×K | 970.04 | Joback Calculated Property |
| Cp,gas | 1057.53 | J/mol×K | 1002.18 | Joback Calculated Property |
| Cp,gas | 1069.89 | J/mol×K | 1034.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, butyl dodec-9-ynyl ester.
Sources
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