- InChI
- InChI=1S/C16H24O4/c1-5-8-14(6-2)20-16(18)10-7-9-15(17)19-12-11-13(3)4/h11,14H,6-7,9-10,12H2,1-4H3
- InChI Key
- JCFQXMXZIZYBOK-UHFFFAOYSA-N
- Formula
- C16H24O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OCC=C(C
)C - Molecular Weight1
- 280.36
- 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 | 0.6558 | Relay (... Calculated Property | |
| ΔfG° | -111.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -647.39 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 41.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.60 | kJ/mol | Relay (... Calculated Property |
| IE | 8.58 | eV | Relay (... Calculated Property |
| log10WS | -3.37 | Relay (... Calculated Property | |
| logPoct/wat | 3.011 | Crippen Calculated Property | |
| McVol | 238.280 | ml/mol | McGowan Calculated Property |
| Pc | 1683.79 | kPa | Joback Calculated Property |
| Inp | [1898.00; 1898.00] |
|
|
| Inp | 1898.00 | NIST | |
| Inp | 1898.00 | NIST | |
| Tboil | 566.93 | K | Relay (... Calculated Property |
| Tc | 748.02 | K | Relay (... Calculated Property |
| Tfus | 291.78 | K | Relay (... Calculated Property |
| Vc | 0.843 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [664.55; 746.68] | J/mol×K | [730.66; 930.21] |
|
| Cp,gas | 664.55 | J/mol×K | 730.66 | Joback Calculated Property |
| Cp,gas | 680.41 | J/mol×K | 763.92 | Joback Calculated Property |
| Cp,gas | 695.38 | J/mol×K | 797.18 | Joback Calculated Property |
| Cp,gas | 709.47 | J/mol×K | 830.44 | Joback Calculated Property |
| Cp,gas | 722.71 | J/mol×K | 863.69 | Joback Calculated Property |
| Cp,gas | 735.11 | J/mol×K | 896.95 | Joback Calculated Property |
| Cp,gas | 746.68 | J/mol×K | 930.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl hex-4-yn-3-yl ester.
Sources
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