- InChI
- InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-21(22)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3
- InChI Key
- SDNCECLJQYEDRK-UHFFFAOYSA-N
- Formula
- C21H34O
- SMILES
- CCCCCCCCCCCCCCC(=O)c1ccccc1
- Molecular Weight1
- 302.49
- CAS
- 4669-04-9
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 109.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.36 | kJ/mol | Joback Calculated Property |
| log10WS | -7.57 | Crippen Calculated Property | |
| logPoct/wat | 6.961 | Crippen Calculated Property | |
| McVol | 284.560 | ml/mol | McGowan Calculated Property |
| Pc | 1239.83 | kPa | Joback Calculated Property |
| Inp | 2422.10 | NIST | |
| Tboil | 760.43 | K | Joback Calculated Property |
| Tc | 950.46 | K | Joback Calculated Property |
| Tfus | 402.78 | K | Joback Calculated Property |
| Vc | 1.109 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [854.06; 952.73] | J/mol×K | [760.43; 950.46] | 
|
| Cp,gas | 854.06 | J/mol×K | 760.43 | Joback Calculated Property |
| Cp,gas | 872.98 | J/mol×K | 792.10 | Joback Calculated Property |
| Cp,gas | 890.84 | J/mol×K | 823.77 | Joback Calculated Property |
| Cp,gas | 907.70 | J/mol×K | 855.45 | Joback Calculated Property |
| Cp,gas | 923.60 | J/mol×K | 887.12 | Joback Calculated Property |
| Cp,gas | 938.59 | J/mol×K | 918.79 | Joback Calculated Property |
| Cp,gas | 952.73 | J/mol×K | 950.46 | Joback Calculated Property |
| η | [0.0000854; 0.0017127] | Pa×s | [402.78; 760.43] |
|
| η | 0.0017127 | Pa×s | 402.78 | Joback Calculated Property |
| η | 0.0007530 | Pa×s | 462.39 | Joback Calculated Property |
| η | 0.0003994 | Pa×s | 522.00 | Joback Calculated Property |
| η | 0.0002413 | Pa×s | 581.61 | Joback Calculated Property |
| η | 0.0001601 | Pa×s | 641.21 | Joback Calculated Property |
| η | 0.0001139 | Pa×s | 700.82 | Joback Calculated Property |
| η | 0.0000854 | Pa×s | 760.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecanophenone.
Sources
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