- 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
- 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 | 0.9085 | Relay (1.0) Calculated Property | |
| ΔfG° | 109.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.14 | Relay (1.0) 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 | 624.01 | K | Relay (1.0) Calculated Property |
| Tc | 833.47 | K | Relay (1.0) Calculated Property |
| Tfus | 320.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.092 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.64; 973.23] | 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 | -4.27470e+01 | |||
| Coefficient B | 1.89192e+00 | |||
| Coefficient C | -1.13110e-03 | |||
| Coefficient D | 2.55160e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 394.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 496.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 586.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 666.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 737.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 798.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 852.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 898.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 938.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 973.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017127; 0.0001383] | Pa×s | [402.78; 665.50] |
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 | -1.27439e+01 | |||
| Coefficient B | 2.56741e+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. | 402.78 | |||
| Temperature range, max. | 665.50 | |||
| η | 0.0017127 | Pa×s | 402.78 | Calculated Property |
| η | 0.0011133 | Pa×s | 431.97 | Calculated Property |
| η | 0.0007642 | Pa×s | 461.16 | Calculated Property |
| η | 0.0005486 | Pa×s | 490.35 | Calculated Property |
| η | 0.0004088 | Pa×s | 519.54 | Calculated Property |
| η | 0.0003143 | Pa×s | 548.74 | Calculated Property |
| η | 0.0002482 | Pa×s | 577.93 | Calculated Property |
| η | 0.0002004 | Pa×s | 607.12 | Calculated Property |
| η | 0.0001651 | Pa×s | 636.31 | Calculated Property |
| η | 0.0001383 | Pa×s | 665.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecanophenone.
Sources
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