- InChI
- InChI=1S/C14H20O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
- InChI Key
- UDEVCZRUNOLVLU-UHFFFAOYSA-N
- Formula
- C14H20O
- SMILES
- CCCCCCCC(=O)c1ccccc1
- Molecular Weight1
- 204.31
- CAS
- 1674-37-9
- Other Names
-
- Octanophenone
- n-Octanophenone
- Caprylophenone
- Heptyl phenyl ketone
- Ketone, heptyl phenyl
- 1-phenyloctan-1-one
- 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° | 50.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -208.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.78 | kJ/mol | Joback Calculated Property |
| log10WS | -4.64 | Crippen Calculated Property | |
| logPoct/wat | 4.230 | Crippen Calculated Property | |
| McVol | 185.930 | ml/mol | McGowan Calculated Property |
| Pc | 2127.56 | kPa | Joback Calculated Property |
| Tboil | 560.70 | K | NIST |
| Tc | 802.16 | K | Joback Calculated Property |
| Tfus | 323.89 | K | Joback Calculated Property |
| Vc | 0.718 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [466.92; 553.72] | J/mol×K | [600.27; 802.16] | 
|
| Cp,gas | 466.92 | J/mol×K | 600.27 | Joback Calculated Property |
| Cp,gas | 483.65 | J/mol×K | 633.92 | Joback Calculated Property |
| Cp,gas | 499.43 | J/mol×K | 667.57 | Joback Calculated Property |
| Cp,gas | 514.28 | J/mol×K | 701.21 | Joback Calculated Property |
| Cp,gas | 528.26 | J/mol×K | 734.86 | Joback Calculated Property |
| Cp,gas | 541.39 | J/mol×K | 768.51 | Joback Calculated Property |
| Cp,gas | 553.72 | J/mol×K | 802.16 | Joback Calculated Property |
| η | [0.0001908; 0.0028754] | Pa×s | [323.89; 600.27] |
|
| η | 0.0028754 | Pa×s | 323.89 | Joback Calculated Property |
| η | 0.0013807 | Pa×s | 369.95 | Joback Calculated Property |
| η | 0.0007799 | Pa×s | 416.02 | Joback Calculated Property |
| η | 0.0004937 | Pa×s | 462.08 | Joback Calculated Property |
| η | 0.0003395 | Pa×s | 508.14 | Joback Calculated Property |
| η | 0.0002485 | Pa×s | 554.21 | Joback Calculated Property |
| η | 0.0001908 | Pa×s | 600.27 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [437.20; 440.00] | K | [2.00; 2.70] |
|
| Tboilr | 437.20 | K | 2.00 | NIST |
| Tboilr | 440.00 ± 1.00 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 1-Octanone, 1-phenyl-.
Sources
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