- InChI
- InChI=1S/C15H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h10-11H,3-9,12-14H2,1-2H3/b11-10-
- InChI Key
- BDLYSBLBXFYIRW-KHPPLWFESA-N
- Formula
- C15H28O
- SMILES
- CCCCCCCCC=CCCCC(C)=O
- Molecular Weight1
- 224.38
- 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 | 0.6685 | Relay (1.0) Calculated Property | |
| ΔfG° | 26.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -426.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.053 | Crippen Calculated Property | |
| McVol | 219.480 | ml/mol | McGowan Calculated Property |
| Pc | 1546.35 | kPa | Joback Calculated Property |
| Inp | [1647.00; 1650.00] |
|
|
| Inp | 1650.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1650.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Tboil | 556.82 | K | Relay (1.0) Calculated Property |
| Tc | 739.26 | K | Relay (1.0) Calculated Property |
| Tfus | 283.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.819 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.61; 751.63] | 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 | -1.75700e+01 | |||
| Coefficient B | 1.42084e+00 | |||
| Coefficient C | -8.57300e-04 | |||
| Coefficient D | 2.05660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 310.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 386.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 454.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 515.11 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 568.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 615.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 656.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 692.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 723.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 751.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035368; 0.0002117] | Pa×s | [303.66; 541.84] |
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 | -1.20506e+01 | |||
| Coefficient B | 1.94527e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 303.66 | |||
| Temperature range, max. | 541.84 | |||
| η | 0.0035368 | Pa×s | 303.66 | Calculated Property |
| η | 0.0021163 | Pa×s | 330.12 | Calculated Property |
| η | 0.0013666 | Pa×s | 356.59 | Calculated Property |
| η | 0.0009375 | Pa×s | 383.05 | Calculated Property |
| η | 0.0006752 | Pa×s | 409.52 | Calculated Property |
| η | 0.0005061 | Pa×s | 435.98 | Calculated Property |
| η | 0.0003920 | Pa×s | 462.45 | Calculated Property |
| η | 0.0003122 | Pa×s | 488.91 | Calculated Property |
| η | 0.0002545 | Pa×s | 515.38 | Calculated Property |
| η | 0.0002117 | Pa×s | 541.84 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-6-Pentadecen-2-one.
Sources
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