- InChI
- InChI=1S/C18H30O4/c1-5-7-8-9-11-16(6-2)22-18(20)13-10-12-17(19)21-14-15(3)4/h15-16H,5-7,10-14H2,1-4H3
- InChI Key
- IUZKNPXJMWWXAY-UHFFFAOYSA-N
- Formula
- C18H30O4
- SMILES
-
CCCC#CCC(CC)OC(=O)CCCC(=O)OCC(
C)C - Molecular Weight1
- 310.43
- 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 | 0.7804 | Relay (1.0) Calculated Property | |
| ΔfG° | -169.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -783.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.871 | Crippen Calculated Property | |
| McVol | 270.760 | ml/mol | McGowan Calculated Property |
| Pc | 1394.37 | kPa | Joback Calculated Property |
| Inp | 2074.00 | NIST | |
| Tboil | 583.57 | K | Relay (1.0) Calculated Property |
| Tc | 759.53 | K | Relay (1.0) Calculated Property |
| Tfus | 255.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.989 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [802.99; 890.60] | J/mol×K | [771.94; 964.57] | 
|
| Cp,gas | 802.99 | J/mol×K | 771.94 | Joback Calculated Property |
| Cp,gas | 820.04 | J/mol×K | 804.05 | Joback Calculated Property |
| Cp,gas | 836.09 | J/mol×K | 836.15 | Joback Calculated Property |
| Cp,gas | 851.17 | J/mol×K | 868.26 | Joback Calculated Property |
| Cp,gas | 865.27 | J/mol×K | 900.36 | Joback Calculated Property |
| Cp,gas | 878.41 | J/mol×K | 932.47 | Joback Calculated Property |
| Cp,gas | 890.60 | J/mol×K | 964.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl non-5-yn-3-yl ester.
Sources
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