- InChI
- InChI=1S/C15H22O/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16/h9-12H,3-8H2,1-2H3
- InChI Key
- UQBRZOXCKKBKDU-UHFFFAOYSA-N
- Formula
- C15H22O
- SMILES
- CCCCCCCc1ccc(C(C)=O)cc1
- Molecular Weight1
- 218.33
- CAS
- 37593-03-6
- Other Names
-
- 4-n-Heptylacetophenone
- 4'-n-Heptylacetophenone
- Ethanone, 1-(4-heptylphenyl)-
- p-n-Heptylacetophenone
- 4'-Heptylacetophenone
- 1-(4-heptylphenyl)ethan-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).
- 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° | 49.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -240.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.67 | kJ/mol | Joback Calculated Property |
| log10WS | -5.03 | Crippen Calculated Property | |
| logPoct/wat | 4.402 | Crippen Calculated Property | |
| McVol | 200.020 | ml/mol | McGowan Calculated Property |
| Pc | 1925.36 | kPa | Joback Calculated Property |
| Tboil | 628.13 | K | Joback Calculated Property |
| Tc | 828.14 | K | Joback Calculated Property |
| Tfus | 347.68 | K | Joback Calculated Property |
| Vc | 0.773 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.31; 606.81] | J/mol×K | [628.13; 828.14] | 
|
| Cp,gas | 518.31 | J/mol×K | 628.13 | Joback Calculated Property |
| Cp,gas | 535.29 | J/mol×K | 661.46 | Joback Calculated Property |
| Cp,gas | 551.33 | J/mol×K | 694.80 | Joback Calculated Property |
| Cp,gas | 566.47 | J/mol×K | 728.13 | Joback Calculated Property |
| Cp,gas | 580.73 | J/mol×K | 761.47 | Joback Calculated Property |
| Cp,gas | 594.17 | J/mol×K | 794.80 | Joback Calculated Property |
| Cp,gas | 606.81 | J/mol×K | 828.14 | Joback Calculated Property |
| η | [0.0001707; 0.0020914] | Pa×s | [347.68; 628.13] |
|
| η | 0.0020914 | Pa×s | 347.68 | Joback Calculated Property |
| η | 0.0010755 | Pa×s | 394.42 | Joback Calculated Property |
| η | 0.0006368 | Pa×s | 441.16 | Joback Calculated Property |
| η | 0.0004168 | Pa×s | 487.90 | Joback Calculated Property |
| η | 0.0002938 | Pa×s | 534.65 | Joback Calculated Property |
| η | 0.0002191 | Pa×s | 581.39 | Joback Calculated Property |
| η | 0.0001707 | Pa×s | 628.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Heptylacetophenone.
Sources
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