- InChI
- InChI=1S/C16H22O4/c1-3-10-19-15(17)8-5-9-16(18)20-12-14-7-4-6-13(2)11-14/h4,6-7,11H,3,5,8-10,12H2,1-2H3
- InChI Key
- MZGKDTFTSHWNEX-UHFFFAOYSA-N
- Formula
- C16H22O4
- SMILES
- CCCOC(=O)CCCC(=O)OCc1cccc(C)c1
- Molecular Weight1
- 278.35
- ω : Acentric Factor.
- 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).
- 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 | 0.8057 | Relay (1.0) Calculated Property | |
| ΔfG° | -434.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -743.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.162 | Crippen Calculated Property | |
| McVol | 227.420 | ml/mol | McGowan Calculated Property |
| Pc | 1696.30 | kPa | Joback Calculated Property |
| Inp | 2287.00 | NIST | |
| Tboil | 609.28 | K | Relay (1.0) Calculated Property |
| Tc | 796.19 | K | Relay (1.0) Calculated Property |
| Tfus | 258.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.855 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.87; 739.44] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.95560e+01 | |||
| Coefficient B | 1.27584e+00 | |||
| Coefficient C | -6.21560e-04 | |||
| Coefficient D | 6.56000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 322.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 396.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 461.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 520.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 573.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 618.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 657.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 690.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 718.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 739.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014002; 0.0001140] | Pa×s | [393.68; 637.95] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.31211e+01 | |||
| Coefficient B | 2.57860e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 393.68 | |||
| Temperature range, max. | 637.95 | |||
| η | 0.0014002 | Pa×s | 393.68 | Calculated Property |
| η | 0.0009178 | Pa×s | 420.82 | Calculated Property |
| η | 0.0006331 | Pa×s | 447.96 | Calculated Property |
| η | 0.0004557 | Pa×s | 475.10 | Calculated Property |
| η | 0.0003399 | Pa×s | 502.24 | Calculated Property |
| η | 0.0002612 | Pa×s | 529.38 | Calculated Property |
| η | 0.0002060 | Pa×s | 556.53 | Calculated Property |
| η | 0.0001661 | Pa×s | 583.67 | Calculated Property |
| η | 0.0001365 | Pa×s | 610.81 | Calculated Property |
| η | 0.0001140 | Pa×s | 637.95 | Calculated Property |
Similar Compounds
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