- InChI
- InChI=1S/C20H34O4/c1-3-5-6-7-8-9-10-11-12-13-18-24-20(22)16-14-15-19(21)23-17-4-2/h3-4,7-18H2,1-2H3
- InChI Key
- QSAICPKQMDGYFR-UHFFFAOYSA-N
- Formula
- C20H34O4
- SMILES
-
CCC#CCCCCCCCCOC(=O)CCCC(=O)OCC
C - Molecular Weight1
- 338.48
- 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 | 0.9287 | Relay (1.0) Calculated Property | |
| ΔfG° | -147.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -810.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.797 | Crippen Calculated Property | |
| McVol | 298.940 | ml/mol | McGowan Calculated Property |
| Pc | 1200.62 | kPa | Joback Calculated Property |
| Inp | [2462.00; 2462.00] |
|
|
| Inp | 2462.00 | NIST | |
| Inp | 2462.00 | NIST | |
| Tboil | 613.85 | K | Relay (1.0) Calculated Property |
| Tc | 797.94 | K | Relay (1.0) Calculated Property |
| Tfus | 286.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.124 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [919.80; 1008.57] | J/mol×K | [818.58; 1009.33] |
|
| Cp,gas | 919.80 | J/mol×K | 818.58 | Joback Calculated Property |
| Cp,gas | 937.14 | J/mol×K | 850.37 | Joback Calculated Property |
| Cp,gas | 953.44 | J/mol×K | 882.16 | Joback Calculated Property |
| Cp,gas | 968.72 | J/mol×K | 913.95 | Joback Calculated Property |
| Cp,gas | 982.99 | J/mol×K | 945.75 | Joback Calculated Property |
| Cp,gas | 996.27 | J/mol×K | 977.54 | Joback Calculated Property |
| Cp,gas | 1008.57 | J/mol×K | 1009.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-9-ynyl propyl ester.
Sources
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