- InChI
- InChI=1S/C22H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)21-18-15-14-16-19-21/h14-16,18-19H,2-13,17,20H2,1H3
- InChI Key
- IIOLAWJMOGLOIB-UHFFFAOYSA-N
- Formula
- C22H36O
- SMILES
- CCCCCCCCCCCCCCCC(=O)c1ccccc1
- Molecular Weight1
- 316.52
- CAS
- 6697-12-7
- Other Names
-
- Pentadecyl phenyl ketone
- n-Hexadecanophenone
- 1-Hexadecanone, 1-phenyl-
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 117.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -373.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.59 | kJ/mol | Joback Calculated Property |
| log10WS | -7.99 | Crippen Calculated Property | |
| logPoct/wat | 7.351 | Crippen Calculated Property | |
| McVol | 298.650 | ml/mol | McGowan Calculated Property |
| Pc | 1160.08 | kPa | Joback Calculated Property |
| Tboil | 783.31 | K | Joback Calculated Property |
| Tc | 973.54 | K | Joback Calculated Property |
| Tfus | [324.00; 332.20] | K |
|
| Tfus | 332.20 ± 0.60 | K | NIST |
| Tfus | 324.00 ± 3.00 | K | NIST |
| Vc | 1.165 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [913.68; 1013.52] | J/mol×K | [783.31; 973.54] |
|
| Cp,gas | 913.68 | J/mol×K | 783.31 | Joback Calculated Property |
| Cp,gas | 932.83 | J/mol×K | 815.02 | Joback Calculated Property |
| Cp,gas | 950.90 | J/mol×K | 846.72 | Joback Calculated Property |
| Cp,gas | 967.96 | J/mol×K | 878.43 | Joback Calculated Property |
| Cp,gas | 984.04 | J/mol×K | 910.13 | Joback Calculated Property |
| Cp,gas | 999.21 | J/mol×K | 941.84 | Joback Calculated Property |
| Cp,gas | 1013.52 | J/mol×K | 973.54 | Joback Calculated Property |
| η | [0.0000749; 0.0015501] | Pa×s | [414.05; 783.31] |
|
| η | 0.0015501 | Pa×s | 414.05 | Joback Calculated Property |
| η | 0.0006747 | Pa×s | 475.59 | Joback Calculated Property |
| η | 0.0003553 | Pa×s | 537.14 | Joback Calculated Property |
| η | 0.0002135 | Pa×s | 598.68 | Joback Calculated Property |
| η | 0.0001411 | Pa×s | 660.22 | Joback Calculated Property |
| η | 0.0001000 | Pa×s | 721.77 | Joback Calculated Property |
| η | 0.0000749 | Pa×s | 783.31 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 521.20 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Hexadecanophenone.
Sources
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