- InChI
- InChI=1S/C19H38O/c1-6-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-19(5)20/h16-18H,6-15H2,1-5H3
- InChI Key
- SMCRXBLMFXFLRR-UHFFFAOYSA-N
- Formula
- C19H38O
- SMILES
- CCC(C)CCCC(C)CCCC(C)CCCC(C)=O
- Molecular Weight1
- 282.50
- 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 | 0.7572 | Relay (1.0) Calculated Property | |
| ΔfG° | -27.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -631.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.405 | Crippen Calculated Property | |
| McVol | 280.140 | ml/mol | McGowan Calculated Property |
| Pc | 1145.21 | kPa | Joback Calculated Property |
| Inp | [1953.00; 1953.00] |
|
|
| Inp | 1953.00 | NIST | |
| Inp | 1953.00 | NIST | |
| Tboil | 588.82 | K | Relay (1.0) Calculated Property |
| Tc | 768.40 | K | Relay (1.0) Calculated Property |
| Tfus | 260.18 | K | Relay (1.0) Calculated Property |
| Vc | 1.030 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [408.52; 990.19] | 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 | -1.20700e+01 | |||
| Coefficient B | 1.79860e+00 | |||
| Coefficient C | -1.00070e-03 | |||
| Coefficient D | 2.04360e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 408.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 508.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 597.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 677.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 747.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 810.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 865.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 912.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 954.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 990.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0069481; 0.0001435] | Pa×s | [308.82; 602.24] |
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 | -1.29323e+01 | |||
| Coefficient B | 2.45913e+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. | 308.82 | |||
| Temperature range, max. | 602.24 | |||
| η | 0.0069481 | Pa×s | 308.82 | Calculated Property |
| η | 0.0032481 | Pa×s | 341.42 | Calculated Property |
| η | 0.0017337 | Pa×s | 374.02 | Calculated Property |
| η | 0.0010234 | Pa×s | 406.63 | Calculated Property |
| η | 0.0006533 | Pa×s | 439.23 | Calculated Property |
| η | 0.0004437 | Pa×s | 471.83 | Calculated Property |
| η | 0.0003168 | Pa×s | 504.43 | Calculated Property |
| η | 0.0002356 | Pa×s | 537.04 | Calculated Property |
| η | 0.0001813 | Pa×s | 569.64 | Calculated Property |
| η | 0.0001435 | Pa×s | 602.24 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexadecanone, 6,10,14-trimethyl.
Sources
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