- InChI
- InChI=1S/C16H26O4/c1-4-6-7-8-9-13-19-15(17)11-10-12-16(18)20-14(3)5-2/h2,14H,4,6-13H2,1,3H3
- InChI Key
- BIKJQEDHGVUSMT-UHFFFAOYSA-N
- Formula
- C16H26O4
- SMILES
- C#CC(C)OC(=O)CCCC(=O)OCCCCCCC
- Molecular Weight1
- 282.38
- 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 | 0.7739 | Relay (1.0) Calculated Property | |
| ΔfG° | -163.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -734.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.235 | Crippen Calculated Property | |
| McVol | 242.580 | ml/mol | McGowan Calculated Property |
| Pc | 1592.35 | kPa | Joback Calculated Property |
| Inp | [1913.00; 1913.00] |
|
|
| Inp | 1913.00 | NIST | |
| Inp | 1913.00 | NIST | |
| Tboil | 571.72 | K | Relay (1.0) Calculated Property |
| Tc | 741.91 | K | Relay (1.0) Calculated Property |
| Tfus | 290.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.894 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [684.18; 767.05] | J/mol×K | [707.74; 892.21] |
|
| Cp,gas | 684.18 | J/mol×K | 707.74 | Joback Calculated Property |
| Cp,gas | 700.00 | J/mol×K | 738.48 | Joback Calculated Property |
| Cp,gas | 715.00 | J/mol×K | 769.23 | Joback Calculated Property |
| Cp,gas | 729.19 | J/mol×K | 799.97 | Joback Calculated Property |
| Cp,gas | 742.58 | J/mol×K | 830.72 | Joback Calculated Property |
| Cp,gas | 755.20 | J/mol×K | 861.46 | Joback Calculated Property |
| Cp,gas | 767.05 | J/mol×K | 892.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl heptyl ester.
Sources
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