- InChI
- InChI=1S/C15H24O4/c1-5-8-13(6-2)19-15(17)10-7-9-14(16)18-11-12(3)4/h12-13H,6-7,9-11H2,1-4H3
- InChI Key
- CRTYWRCYZWYOFK-UHFFFAOYSA-N
- Formula
- C15H24O4
- SMILES
- CC#CC(CC)OC(=O)CCCC(=O)OCC(C)C
- Molecular Weight1
- 268.35
- 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 | 0.6811 | Relay (1.0) Calculated Property | |
| ΔfG° | -194.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -713.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.701 | Crippen Calculated Property | |
| McVol | 228.490 | ml/mol | McGowan Calculated Property |
| Pc | 1750.67 | kPa | Joback Calculated Property |
| Inp | 1822.00 | NIST | |
| Tboil | 551.08 | K | Relay (1.0) Calculated Property |
| Tc | 729.05 | K | Relay (1.0) Calculated Property |
| Tfus | 282.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.830 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [633.75; 717.08] | J/mol×K | [703.30; 898.78] | 
|
| Cp,gas | 633.75 | J/mol×K | 703.30 | Joback Calculated Property |
| Cp,gas | 649.79 | J/mol×K | 735.88 | Joback Calculated Property |
| Cp,gas | 664.97 | J/mol×K | 768.46 | Joback Calculated Property |
| Cp,gas | 679.28 | J/mol×K | 801.04 | Joback Calculated Property |
| Cp,gas | 692.74 | J/mol×K | 833.62 | Joback Calculated Property |
| Cp,gas | 705.34 | J/mol×K | 866.20 | Joback Calculated Property |
| Cp,gas | 717.08 | J/mol×K | 898.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl isobutyl ester.
Sources
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