- InChI
- InChI=1S/C17H18O/c1-2-6-17(18)16-11-9-15(10-12-16)13-14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3
- InChI Key
- CQGHAVUWNSCNMH-UHFFFAOYSA-N
- Formula
- C17H18O
- SMILES
- CCCC(=O)c1ccc(Cc2ccccc2)cc1
- Molecular Weight1
- 238.32
- CAS
- 17302-69-1
- 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).
- 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 | 0.6271 | Relay (1.0) Calculated Property | |
| ΔfG° | 178.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -49.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.260 | Crippen Calculated Property | |
| McVol | 204.440 | ml/mol | McGowan Calculated Property |
| Pc | 2183.60 | kPa | Joback Calculated Property |
| Tboil | 637.63 | K | Relay (1.0) Calculated Property |
| Tc | 846.80 | K | Relay (1.0) Calculated Property |
| Tfus | 314.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.753 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.35; 627.89] | J/mol×K | [700.57; 933.15] | 
|
| Cp,gas | 544.35 | J/mol×K | 700.57 | Joback Calculated Property |
| Cp,gas | 561.15 | J/mol×K | 739.33 | Joback Calculated Property |
| Cp,gas | 576.71 | J/mol×K | 778.10 | Joback Calculated Property |
| Cp,gas | 591.09 | J/mol×K | 816.86 | Joback Calculated Property |
| Cp,gas | 604.36 | J/mol×K | 855.62 | Joback Calculated Property |
| Cp,gas | 616.60 | J/mol×K | 894.39 | Joback Calculated Property |
| Cp,gas | 627.89 | J/mol×K | 933.15 | Joback Calculated Property |
| η | [0.0001399; 0.0015064] | Pa×s | [396.64; 700.57] |
|
| η | 0.0015064 | Pa×s | 396.64 | Joback Calculated Property |
| η | 0.0008101 | Pa×s | 447.29 | Joback Calculated Property |
| η | 0.0004942 | Pa×s | 497.95 | Joback Calculated Property |
| η | 0.0003303 | Pa×s | 548.61 | Joback Calculated Property |
| η | 0.0002363 | Pa×s | 599.26 | Joback Calculated Property |
| η | 0.0001781 | Pa×s | 649.91 | Joback Calculated Property |
| η | 0.0001399 | Pa×s | 700.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(4-Benzylphenyl)-1-butanone.
Sources
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