- InChI
- InChI=1S/C27H54O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
- InChI Key
- VCZMOZVQLARCOE-UHFFFAOYSA-N
- Formula
- C27H54O
- SMILES
-
CCCCCCCCCCCCCC(=O)CCCCCCCCCCCC
C - Molecular Weight1
- 394.72
- CAS
- 542-50-7
- Other Names
-
- Ditridecyl ketone
- heptacosan-14-one
- 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).
- Pvap : Vapor pressure (kPa).
- 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 | 1.1535 | Relay (1.0) Calculated Property | |
| ΔfG° | 47.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -732.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.958 | Crippen Calculated Property | |
| McVol | 392.860 | ml/mol | McGowan Calculated Property |
| Pc | 712.25 | kPa | Joback Calculated Property |
| Tboil | 633.27 | K | Relay (1.0) Calculated Property |
| Tc | 825.84 | K | Relay (1.0) Calculated Property |
| Tfus | 350.90 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.541 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.18; 1401.30] | 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 | -1.42960e+01 | |||
| Coefficient B | 2.54084e+00 | |||
| Coefficient C | -1.42630e-03 | |||
| Coefficient D | 3.01060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 579.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 719.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 845.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 957.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1057.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1145.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1222.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1290.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1349.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1401.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0070384; 0.0000648] | Pa×s | [350.90; 747.91] |
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 | -1.37878e+01 | |||
| Coefficient B | 3.09895e+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. | 350.90 | |||
| Temperature range, max. | 747.91 | |||
| η | 0.0070384 | Pa×s | 350.90 | Calculated Property |
| η | 0.0026252 | Pa×s | 395.01 | Calculated Property |
| η | 0.0011937 | Pa×s | 439.13 | Calculated Property |
| η | 0.0006268 | Pa×s | 483.24 | Calculated Property |
| η | 0.0003666 | Pa×s | 527.35 | Calculated Property |
| η | 0.0002329 | Pa×s | 571.46 | Calculated Property |
| η | 0.0001579 | Pa×s | 615.58 | Calculated Property |
| η | 0.0001128 | Pa×s | 659.69 | Calculated Property |
| η | 0.0000840 | Pa×s | 703.80 | Calculated Property |
| η | 0.0000648 | Pa×s | 747.91 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [564.92; 752.21] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.65724e+01 | |||
| Coefficient B | -6.83660e+03 | |||
| Coefficient C | -1.45105e+02 | |||
| Temperature range, min. | 564.92 | |||
| Temperature range, max. | 752.21 | |||
| Pvap | 1.33 | kPa | 564.92 | Calculated Property |
| Pvap | 2.88 | kPa | 585.73 | Calculated Property |
| Pvap | 5.79 | kPa | 606.54 | Calculated Property |
| Pvap | 10.98 | kPa | 627.35 | Calculated Property |
| Pvap | 19.73 | kPa | 648.16 | Calculated Property |
| Pvap | 33.85 | kPa | 668.97 | Calculated Property |
| Pvap | 55.74 | kPa | 689.78 | Calculated Property |
| Pvap | 88.46 | kPa | 710.59 | Calculated Property |
| Pvap | 135.87 | kPa | 731.40 | Calculated Property |
| Pvap | 202.63 | kPa | 752.21 | Calculated Property |
Similar Compounds
Find more compounds similar to 14-Heptacosanone.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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