- InChI
- InChI=1S/C16H26O4/c1-3-4-5-6-7-8-9-10-11-12-13-19-16(18)14-20-15(2)17/h3,6-14H2,1-2H3
- InChI Key
- JKUZFGVJIGLVNV-UHFFFAOYSA-N
- Formula
- C16H26O4
- SMILES
- CCC#CCCCCCCCCOC(=O)COC(C)=O
- 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 | 0.7832 | Relay (1.0) Calculated Property | |
| ΔfG° | -181.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -707.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.237 | Crippen Calculated Property | |
| McVol | 242.580 | ml/mol | McGowan Calculated Property |
| Pc | 1597.44 | kPa | Joback Calculated Property |
| Inp | 1961.00 | NIST | |
| Tboil | 577.22 | K | Relay (1.0) Calculated Property |
| Tc | 766.91 | K | Relay (1.0) Calculated Property |
| Tfus | 289.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.905 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.04; 771.20] | J/mol×K | [727.06; 915.93] | 
|
| Cp,gas | 688.04 | J/mol×K | 727.06 | Joback Calculated Property |
| Cp,gas | 703.99 | J/mol×K | 758.54 | Joback Calculated Property |
| Cp,gas | 719.09 | J/mol×K | 790.02 | Joback Calculated Property |
| Cp,gas | 733.36 | J/mol×K | 821.50 | Joback Calculated Property |
| Cp,gas | 746.80 | J/mol×K | 852.97 | Joback Calculated Property |
| Cp,gas | 759.41 | J/mol×K | 884.45 | Joback Calculated Property |
| Cp,gas | 771.20 | J/mol×K | 915.93 | Joback Calculated Property |
Similar Compounds
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Sources
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