- InChI
- InChI=1S/C14H22O4/c1-4-6-7-11-17-13(15)9-8-10-14(16)18-12(3)5-2/h2,12H,4,6-11H2,1,3H3
- InChI Key
- QNPXAXSIIFAROH-UHFFFAOYSA-N
- Formula
- C14H22O4
- SMILES
- C#CC(C)OC(=O)CCCC(=O)OCCCCC
- Molecular Weight1
- 254.32
- 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 | 0.6987 | Relay (1.0) Calculated Property | |
| ΔfG° | -180.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -694.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.455 | Crippen Calculated Property | |
| McVol | 214.400 | ml/mol | McGowan Calculated Property |
| Pc | 1867.55 | kPa | Joback Calculated Property |
| Inp | 1718.00 | NIST | |
| Tboil | 546.34 | K | Relay (1.0) Calculated Property |
| Tc | 717.85 | K | Relay (1.0) Calculated Property |
| Tfus | 282.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.786 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.92; 654.36] | J/mol×K | [661.98; 848.46] | 
|
| Cp,gas | 575.92 | J/mol×K | 661.98 | Joback Calculated Property |
| Cp,gas | 590.82 | J/mol×K | 693.06 | Joback Calculated Property |
| Cp,gas | 604.97 | J/mol×K | 724.14 | Joback Calculated Property |
| Cp,gas | 618.39 | J/mol×K | 755.22 | Joback Calculated Property |
| Cp,gas | 631.09 | J/mol×K | 786.30 | Joback Calculated Property |
| Cp,gas | 643.08 | J/mol×K | 817.38 | Joback Calculated Property |
| Cp,gas | 654.36 | J/mol×K | 848.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl pentyl ester.
Sources
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