- InChI
- InChI=1S/C16H26O4/c1-4-7-8-13-19-15(17)11-9-12-16(18)20-14(6-3)10-5-2/h14H,4,6-9,11-13H2,1-3H3
- InChI Key
- MEHFEZQBGIOPJU-UHFFFAOYSA-N
- Formula
- C16H26O4
- SMILES
- CC#CC(CC)OC(=O)CCCC(=O)OCCCCC
- Molecular Weight1
- 282.38
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -183.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -596.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.29 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 3.235 | Crippen Calculated Property | |
| McVol | 242.580 | ml/mol | McGowan Calculated Property |
| Pc | 1607.71 | kPa | Joback Calculated Property |
| Inp | 1960.00 | NIST | |
| Tboil | 726.62 | K | Joback Calculated Property |
| Tc | 918.00 | K | Joback Calculated Property |
| Tfus | 505.50 | K | Joback Calculated Property |
| Vc | 0.935 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.55; 772.61] | J/mol×K | [726.62; 918.00] | 
|
| Cp,gas | 688.55 | J/mol×K | 726.62 | Joback Calculated Property |
| Cp,gas | 704.73 | J/mol×K | 758.52 | Joback Calculated Property |
| Cp,gas | 720.03 | J/mol×K | 790.41 | Joback Calculated Property |
| Cp,gas | 734.46 | J/mol×K | 822.31 | Joback Calculated Property |
| Cp,gas | 748.04 | J/mol×K | 854.21 | Joback Calculated Property |
| Cp,gas | 760.75 | J/mol×K | 886.10 | Joback Calculated Property |
| Cp,gas | 772.61 | J/mol×K | 918.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl pentyl ester.
Sources
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