- InChI
- InChI=1S/C26H46O4/c1-3-5-7-9-11-12-13-15-17-19-24-30-26(28)22-20-21-25(27)29-23-18-16-14-10-8-6-4-2/h3-4,6,8-24H2,1-2H3
- InChI Key
- SOXAHEFYHASJRM-UHFFFAOYSA-N
- Formula
- C26H46O4
- SMILES
-
CCC#CCCCCCCCCOC(=O)CCCC(=O)OCC
CCCCCCC - Molecular Weight1
- 422.64
- 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 | 1.1385 | Relay (1.0) Calculated Property | |
| ΔfG° | -97.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -934.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.138 | Crippen Calculated Property | |
| McVol | 383.480 | ml/mol | McGowan Calculated Property |
| Pc | 834.35 | kPa | Joback Calculated Property |
| Inp | [3063.00; 3063.00] |
|
|
| Inp | 3063.00 | NIST | |
| Inp | 3063.00 | NIST | |
| Tboil | 654.25 | K | Relay (1.0) Calculated Property |
| Tc | 843.06 | K | Relay (1.0) Calculated Property |
| Tfus | 306.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.451 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1290.85; 1386.04] | J/mol×K | [955.86; 1172.24] |
|
| Cp,gas | 1290.85 | J/mol×K | 955.86 | Joback Calculated Property |
| Cp,gas | 1310.44 | J/mol×K | 991.92 | Joback Calculated Property |
| Cp,gas | 1328.48 | J/mol×K | 1027.99 | Joback Calculated Property |
| Cp,gas | 1345.02 | J/mol×K | 1064.05 | Joback Calculated Property |
| Cp,gas | 1360.10 | J/mol×K | 1100.11 | Joback Calculated Property |
| Cp,gas | 1373.76 | J/mol×K | 1136.17 | Joback Calculated Property |
| Cp,gas | 1386.04 | J/mol×K | 1172.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-9-ynyl nonyl ester.
Sources
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