- InChI
- InChI=1S/C14H22O4/c1-5-12(4)18-14(16)8-6-7-13(15)17-10-9-11(2)3/h1,11-12H,6-10H2,2-4H3
- InChI Key
- UALDRQFXDCPENW-UHFFFAOYSA-N
- Formula
- C14H22O4
- SMILES
- C#CC(C)OC(=O)CCCC(=O)OCCC(C)C
- 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 | 0.6642 | Relay (1.0) Calculated Property | |
| ΔfG° | -182.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -706.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.311 | Crippen Calculated Property | |
| McVol | 214.400 | ml/mol | McGowan Calculated Property |
| Pc | 1880.53 | kPa | Joback Calculated Property |
| Inp | [1623.00; 1623.00] |
|
|
| Inp | 1623.00 | NIST | |
| Inp | 1623.00 | NIST | |
| Tboil | 542.40 | K | Relay (1.0) Calculated Property |
| Tc | 713.02 | K | Relay (1.0) Calculated Property |
| Tfus | 281.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.775 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.39; 655.98] | J/mol×K | [661.54; 851.00] |
|
| Cp,gas | 576.39 | J/mol×K | 661.54 | Joback Calculated Property |
| Cp,gas | 591.56 | J/mol×K | 693.12 | Joback Calculated Property |
| Cp,gas | 605.95 | J/mol×K | 724.69 | Joback Calculated Property |
| Cp,gas | 619.58 | J/mol×K | 756.27 | Joback Calculated Property |
| Cp,gas | 632.46 | J/mol×K | 787.85 | Joback Calculated Property |
| Cp,gas | 644.59 | J/mol×K | 819.43 | Joback Calculated Property |
| Cp,gas | 655.98 | J/mol×K | 851.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yl-2-yn 3-methylbutyl ester.
Sources
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