- InChI
- InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-13-16-14(15)12-4-2/h8-9H,3-7,10-13H2,1-2H3/b9-8-
- InChI Key
- KUGDRKJBQMDMCW-HJWRWDBZSA-N
- Formula
- C14H26O2
- SMILES
- CCCCCC=CCCCOC(=O)CCC
- Molecular Weight1
- 226.35
- 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 | 0.6794 | Relay (1.0) Calculated Property | |
| ΔfG° | -163.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -585.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.246 | Crippen Calculated Property | |
| McVol | 211.260 | ml/mol | McGowan Calculated Property |
| Pc | 1593.62 | kPa | Joback Calculated Property |
| Inp | [1544.00; 1550.00] |
|
|
| Inp | 1544.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Tboil | 528.99 | K | Relay (1.0) Calculated Property |
| Tc | 714.88 | K | Relay (1.0) Calculated Property |
| Tfus | 218.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.794 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.81; 719.13] | 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 | 1.38900e+00 | |||
| Coefficient B | 1.29904e+00 | |||
| Coefficient C | -7.27000e-04 | |||
| Coefficient D | 1.45700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 304.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 376.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 440.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 497.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 548.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 592.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 631.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 665.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 694.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 719.13 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042750; 0.0001702] | Pa×s | [284.79; 527.60] |
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 | -1.24589e+01 | |||
| Coefficient B | 1.99464e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 284.79 | |||
| Temperature range, max. | 527.60 | |||
| η | 0.0042750 | Pa×s | 284.79 | Calculated Property |
| η | 0.0023320 | Pa×s | 311.77 | Calculated Property |
| η | 0.0014010 | Pa×s | 338.75 | Calculated Property |
| η | 0.0009074 | Pa×s | 365.73 | Calculated Property |
| η | 0.0006238 | Pa×s | 392.70 | Calculated Property |
| η | 0.0004501 | Pa×s | 419.68 | Calculated Property |
| η | 0.0003378 | Pa×s | 446.66 | Calculated Property |
| η | 0.0002619 | Pa×s | 473.64 | Calculated Property |
| η | 0.0002087 | Pa×s | 500.62 | Calculated Property |
| η | 0.0001702 | Pa×s | 527.60 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-4-Decen-1-yl butanoate.
Sources
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