- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 47.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -713.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.44 | kJ/mol | Joback Calculated Property |
| log10WS | -10.40 | Crippen 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 | 871.03 | K | Joback Calculated Property |
| Tc | 1068.20 | K | Joback Calculated Property |
| Tfus | 443.98 | K | Joback Calculated Property |
| Vc | 1.554 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1315.68; 1439.30] | J/mol×K | [871.03; 1068.20] | 
|
| Cp,gas | 1315.68 | J/mol×K | 871.03 | Joback Calculated Property |
| Cp,gas | 1339.36 | J/mol×K | 903.89 | Joback Calculated Property |
| Cp,gas | 1361.73 | J/mol×K | 936.75 | Joback Calculated Property |
| Cp,gas | 1382.84 | J/mol×K | 969.62 | Joback Calculated Property |
| Cp,gas | 1402.77 | J/mol×K | 1002.48 | Joback Calculated Property |
| Cp,gas | 1421.57 | J/mol×K | 1035.34 | Joback Calculated Property |
| Cp,gas | 1439.30 | J/mol×K | 1068.20 | Joback Calculated Property |
| η | [0.0000361; 0.0011050] | Pa×s | [443.98; 871.03] |
|
| η | 0.0011050 | Pa×s | 443.98 | Joback Calculated Property |
| η | 0.0004213 | Pa×s | 515.15 | Joback Calculated Property |
| η | 0.0002030 | Pa×s | 586.33 | Joback Calculated Property |
| η | 0.0001145 | Pa×s | 657.50 | Joback Calculated Property |
| η | 0.0000723 | Pa×s | 728.68 | Joback Calculated Property |
| η | 0.0000495 | Pa×s | 799.86 | Joback Calculated Property |
| η | 0.0000361 | Pa×s | 871.03 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [564.92; 752.21] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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