- InChI
- InChI=1S/C30H54O4/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-22-27-33-29(31)25-23-26-30(32)34-28(6-3)24-21-10-8-5-2/h28H,4-9,11-20,22-27H2,1-3H3
- InChI Key
- KSNHDEYPHDZEPD-UHFFFAOYSA-N
- Formula
- C30H54O4
- SMILES
-
CCCC#CCC(CC)OC(=O)CCCC(=O)OCCC
CCCCCCCCCCCCC - Molecular Weight1
- 478.75
- 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 | 1.2354 | Relay (... Calculated Property | |
| ΔfG° | -65.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1016.13 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 78.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.88 | kJ/mol | Relay (... Calculated Property |
| IE | 9.30 | eV | Relay (... Calculated Property |
| log10WS | -7.68 | Relay (... Calculated Property | |
| logPoct/wat | 8.697 | Crippen Calculated Property | |
| McVol | 439.840 | ml/mol | McGowan Calculated Property |
| Pc | 678.88 | kPa | Joback Calculated Property |
| Inp | [3338.00; 3338.00] |
|
|
| Inp | 3338.00 | NIST | |
| Inp | 3338.00 | NIST | |
| Tboil | 675.58 | K | Relay (... Calculated Property |
| Tc | 864.25 | K | Relay (... Calculated Property |
| Tfus | 301.92 | K | Relay (... Calculated Property |
| Vc | 1.647 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1548.11; 1645.68] | J/mol×K | [1046.94; 1299.49] |
|
| Cp,gas | 1548.11 | J/mol×K | 1046.94 | Joback Calculated Property |
| Cp,gas | 1569.55 | J/mol×K | 1089.03 | Joback Calculated Property |
| Cp,gas | 1588.80 | J/mol×K | 1131.12 | Joback Calculated Property |
| Cp,gas | 1605.95 | J/mol×K | 1173.21 | Joback Calculated Property |
| Cp,gas | 1621.09 | J/mol×K | 1215.31 | Joback Calculated Property |
| Cp,gas | 1634.30 | J/mol×K | 1257.40 | Joback Calculated Property |
| Cp,gas | 1645.68 | J/mol×K | 1299.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hexadecyl non-5-yn-3-yl ester.
Sources
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