- InChI
- InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-13-16-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3
- InChI Key
- DJNJZIFFCJTUDS-UHFFFAOYSA-N
- Formula
- C18H28O
- SMILES
- CCCCCCCCCCCC(=O)c1ccccc1
- Molecular Weight1
- 260.42
- Other Names
-
- 1-Dodecanone, 1-phenyl-
- 1-Phenyl-1-dodecanone
- 1-phenyldodecan-1-one
- Laurophenone
- Phenyl n-undecyl ketone
- Phenyl undecyl ketone
- Undecyl phenyl ketone
- n-Dodecanophenone
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7994 | Relay (1.0) Calculated Property | |
| ΔfG° | 84.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.790 | Crippen Calculated Property | |
| McVol | 242.290 | ml/mol | McGowan Calculated Property |
| Pc | 1535.46 | kPa | Joback Calculated Property |
| Tboil | 603.25 | K | Relay (1.0) Calculated Property |
| Tc | 809.45 | K | Relay (1.0) Calculated Property |
| Tfus | [316.15; 320.15] | K |
|
| Tfus | 320.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 316.15 ± 2.00 | K | NIST |
| Vc | 0.926 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 487.70 | K | 2.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [331.00; 818.46] | 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 | -4.00200e+01 | |||
| Coefficient B | 1.60692e+00 | |||
| Coefficient C | -9.67900e-04 | |||
| Coefficient D | 2.19460e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 331.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 417.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 493.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 561.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 620.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 672.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 717.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 756.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 789.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 818.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0060073; 0.0001828] | Pa×s | [318.15; 619.29] |
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 | -1.22967e+01 | |||
| Coefficient B | 2.28493e+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. | 318.15 | |||
| Temperature range, max. | 619.29 | |||
| η | 0.0060073 | Pa×s | 318.15 | Calculated Property |
| η | 0.0030329 | Pa×s | 351.61 | Calculated Property |
| η | 0.0017244 | Pa×s | 385.07 | Calculated Property |
| η | 0.0010730 | Pa×s | 418.53 | Calculated Property |
| η | 0.0007163 | Pa×s | 451.99 | Calculated Property |
| η | 0.0005055 | Pa×s | 485.45 | Calculated Property |
| η | 0.0003732 | Pa×s | 518.91 | Calculated Property |
| η | 0.0002858 | Pa×s | 552.37 | Calculated Property |
| η | 0.0002257 | Pa×s | 585.83 | Calculated Property |
| η | 0.0001828 | Pa×s | 619.29 | Calculated Property |
Similar Compounds
Find more compounds similar to DODECANOPHENONE.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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