- InChI
- InChI=1S/C30H54O4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-25-33-29(31)23-21-24-30(32)34-28(22-8-6-2)26-27(3)4/h27-28H,5-7,9-21,23-26H2,1-4H3
- InChI Key
- LRNSQMUZMFZLEF-UHFFFAOYSA-N
- Formula
- C30H54O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCCC(=O)OC
CCCCCCCCCCCCCCC - 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 | 1.1973 | Relay (... Calculated Property | |
| ΔfG° | -68.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1008.40 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 75.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.32 | kJ/mol | Relay (... Calculated Property |
| IE | 9.37 | eV | Relay (... Calculated Property |
| log10WS | -7.90 | Relay (... Calculated Property | |
| logPoct/wat | 8.553 | Crippen Calculated Property | |
| McVol | 439.840 | ml/mol | McGowan Calculated Property |
| Pc | 681.71 | kPa | Joback Calculated Property |
| Inp | [3836.00; 3836.00] |
|
|
| Inp | 3836.00 | NIST | |
| Inp | 3836.00 | NIST | |
| Tboil | 668.49 | K | Relay (... Calculated Property |
| Tc | 855.94 | K | Relay (... Calculated Property |
| Tfus | 299.98 | K | Relay (... Calculated Property |
| Vc | 1.639 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1548.31; 1644.47] | J/mol×K | [1046.50; 1296.55] |
|
| Cp,gas | 1548.31 | J/mol×K | 1046.50 | Joback Calculated Property |
| Cp,gas | 1569.46 | J/mol×K | 1088.17 | Joback Calculated Property |
| Cp,gas | 1588.45 | J/mol×K | 1129.85 | Joback Calculated Property |
| Cp,gas | 1605.36 | J/mol×K | 1171.52 | Joback Calculated Property |
| Cp,gas | 1620.27 | J/mol×K | 1213.20 | Joback Calculated Property |
| Cp,gas | 1633.28 | J/mol×K | 1254.87 | Joback Calculated Property |
| Cp,gas | 1644.47 | J/mol×K | 1296.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hexadecyl 2-methyloct-5-yn-4-yl ester.
Sources
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