- InChI
- InChI=1S/C25H43ClO4/c1-2-3-4-5-6-7-8-10-13-16-22-29-24(27)19-18-20-25(28)30-23-17-14-11-9-12-15-21-26/h2,5-23H2,1H3
- InChI Key
- FYUFNVNTOGXIBP-UHFFFAOYSA-N
- Formula
- C25H43ClO4
- SMILES
-
CCC#CCCCCCCCCOC(=O)CCCC(=O)OCC
CCCCCCCl - Molecular Weight1
- 443.06
- 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 | 1.1466 | Relay (1.0) Calculated Property | |
| ΔfG° | -117.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -951.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.967 | Crippen Calculated Property | |
| McVol | 381.630 | ml/mol | McGowan Calculated Property |
| Pc | 863.53 | kPa | Joback Calculated Property |
| Inp | 3227.00 | NIST | |
| Tboil | 661.19 | K | Relay (1.0) Calculated Property |
| Tc | 865.06 | K | Relay (1.0) Calculated Property |
| Tfus | 310.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.420 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1256.50; 1343.60] | J/mol×K | [970.41; 1189.71] | 
|
| Cp,gas | 1256.50 | J/mol×K | 970.41 | Joback Calculated Property |
| Cp,gas | 1274.62 | J/mol×K | 1006.96 | Joback Calculated Property |
| Cp,gas | 1291.25 | J/mol×K | 1043.51 | Joback Calculated Property |
| Cp,gas | 1306.42 | J/mol×K | 1080.06 | Joback Calculated Property |
| Cp,gas | 1320.17 | J/mol×K | 1116.61 | Joback Calculated Property |
| Cp,gas | 1332.55 | J/mol×K | 1153.16 | Joback Calculated Property |
| Cp,gas | 1343.60 | J/mol×K | 1189.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl dodec-9-yn-1-yl ester.
Sources
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