- InChI
- InChI=1S/C16H24O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3/b7-5+,8-6+,12-11+
- InChI Key
- QGNBTOILRVTESN-UXJRKJCUSA-N
- Formula
- C16H24O4
- SMILES
- CCC=CCCOC(=O)C=CC(=O)OCCC=CCC
- Molecular Weight1
- 280.36
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -143.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -511.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.40 | kJ/mol | Joback Calculated Property |
| log10WS | -3.81 | Crippen Calculated Property | |
| logPoct/wat | 3.342 | Crippen Calculated Property | |
| McVol | 238.280 | ml/mol | McGowan Calculated Property |
| Pc | 1592.35 | kPa | Joback Calculated Property |
| Inp | 1985.00 | NIST | |
| Tboil | 730.54 | K | Joback Calculated Property |
| Tc | 921.10 | K | Joback Calculated Property |
| Tfus | 399.16 | K | Joback Calculated Property |
| Vc | 0.919 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [663.30; 742.28] | J/mol×K | [730.54; 921.10] | 
|
| Cp,gas | 663.30 | J/mol×K | 730.54 | Joback Calculated Property |
| Cp,gas | 678.33 | J/mol×K | 762.30 | Joback Calculated Property |
| Cp,gas | 692.57 | J/mol×K | 794.06 | Joback Calculated Property |
| Cp,gas | 706.05 | J/mol×K | 825.82 | Joback Calculated Property |
| Cp,gas | 718.80 | J/mol×K | 857.58 | Joback Calculated Property |
| Cp,gas | 730.86 | J/mol×K | 889.34 | Joback Calculated Property |
| Cp,gas | 742.28 | J/mol×K | 921.10 | Joback Calculated Property |
| η | [0.0000598; 0.0010046] | Pa×s | [399.16; 730.54] |
|
| η | 0.0010046 | Pa×s | 399.16 | Joback Calculated Property |
| η | 0.0004718 | Pa×s | 454.39 | Joback Calculated Property |
| η | 0.0002610 | Pa×s | 509.62 | Joback Calculated Property |
| η | 0.0001621 | Pa×s | 564.85 | Joback Calculated Property |
| η | 0.0001096 | Pa×s | 620.08 | Joback Calculated Property |
| η | 0.0000790 | Pa×s | 675.31 | Joback Calculated Property |
| η | 0.0000598 | Pa×s | 730.54 | Joback Calculated Property |
Similar Compounds
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Sources
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