- InChI
- InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-12-15-17(18)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3
- InChI Key
- LHJBFOGCFZHBAJ-UHFFFAOYSA-N
- Formula
- C17H26O
- SMILES
- CCCCCCCCCCC(=O)c1ccccc1
- Molecular Weight1
- 246.39
- Other Names
-
- 1-phenylundecanone
- 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 | 0.7612 | Relay (1.0) Calculated Property | |
| ΔfG° | 75.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -280.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.400 | Crippen Calculated Property | |
| McVol | 228.200 | ml/mol | McGowan Calculated Property |
| Pc | 1657.84 | kPa | Joback Calculated Property |
| Inp | [2005.00; 2005.00] |
|
|
| Inp | 2005.00 | NIST | |
| Inp | 2005.00 | NIST | |
| Tboil | 595.68 | K | Relay (1.0) Calculated Property |
| Tc | 800.53 | K | Relay (1.0) Calculated Property |
| Tfus | 304.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.870 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.78; 766.87] | 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 | -3.91110e+01 | |||
| Coefficient B | 1.51192e+00 | |||
| Coefficient C | -9.13500e-04 | |||
| Coefficient D | 2.07560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 309.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 390.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 462.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 525.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 581.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 630.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 672.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 708.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 740.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 766.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024092; 0.0001976] | Pa×s | [357.70; 604.53] |
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 | -1.21531e+01 | |||
| Coefficient B | 2.19077e+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. | 357.70 | |||
| Temperature range, max. | 604.53 | |||
| η | 0.0024092 | Pa×s | 357.70 | Calculated Property |
| η | 0.0015576 | Pa×s | 385.13 | Calculated Property |
| η | 0.0010672 | Pa×s | 412.55 | Calculated Property |
| η | 0.0007664 | Pa×s | 439.98 | Calculated Property |
| η | 0.0005722 | Pa×s | 467.40 | Calculated Property |
| η | 0.0004413 | Pa×s | 494.83 | Calculated Property |
| η | 0.0003498 | Pa×s | 522.25 | Calculated Property |
| η | 0.0002837 | Pa×s | 549.68 | Calculated Property |
| η | 0.0002348 | Pa×s | 577.10 | Calculated Property |
| η | 0.0001976 | Pa×s | 604.53 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-UNDECANONE, 1-PHENYL-.
Sources
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