- InChI
- InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-14-17-15(16)13-4-2/h11-12H,3-10,13-14H2,1-2H3/b12-11+
- InChI Key
- YKKKIRWPZWWRHL-VAWYXSNFSA-N
- Formula
- C15H28O2
- SMILES
- CCCCCCCC/C=C/COC(=O)CCC
- Molecular Weight1
- 240.39
- 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 | 0.7072 | Relay (1.0) Calculated Property | |
| ΔfG° | -154.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -561.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.636 | Crippen Calculated Property | |
| McVol | 225.350 | ml/mol | McGowan Calculated Property |
| Pc | 1478.15 | kPa | Joback Calculated Property |
| Inp | [1663.00; 1663.00] |
|
|
| Inp | 1663.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Tboil | 536.83 | K | Relay (1.0) Calculated Property |
| Tc | 728.67 | K | Relay (1.0) Calculated Property |
| Tfus | 223.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.843 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.02; 770.72] | 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 | 4.80000e-01 | |||
| Coefficient B | 1.39404e+00 | |||
| Coefficient C | -7.81400e-04 | |||
| Coefficient D | 1.57600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 326.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 402.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 471.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 532.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 587.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 634.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 676.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 712.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 744.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 770.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039170; 0.0001583] | Pa×s | [296.06; 542.99] |
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 | -1.25977e+01 | |||
| Coefficient B | 2.08880e+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. | 296.06 | |||
| Temperature range, max. | 542.99 | |||
| η | 0.0039170 | Pa×s | 296.06 | Calculated Property |
| η | 0.0021532 | Pa×s | 323.50 | Calculated Property |
| η | 0.0012997 | Pa×s | 350.93 | Calculated Property |
| η | 0.0008441 | Pa×s | 378.37 | Calculated Property |
| η | 0.0005812 | Pa×s | 405.81 | Calculated Property |
| η | 0.0004195 | Pa×s | 433.24 | Calculated Property |
| η | 0.0003148 | Pa×s | 460.68 | Calculated Property |
| η | 0.0002440 | Pa×s | 488.12 | Calculated Property |
| η | 0.0001943 | Pa×s | 515.55 | Calculated Property |
| η | 0.0001583 | Pa×s | 542.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, undec-2-enyl ester.
Sources
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