- InChI
- InChI=1S/C20H24O2/c1-15(2)20(3,19(22)17-12-8-5-9-13-17)18(21)14-16-10-6-4-7-11-16/h4-13,15,19,22H,14H2,1-3H3
- InChI Key
- HMLHBLHHYRCPRN-UHFFFAOYSA-N
- Formula
- C20H24O2
- SMILES
-
CC(C)C(C)(C(=O)Cc1ccccc1)C(O)c
1ccccc1 - Molecular Weight1
- 296.40
- CAS
- 97234-51-0
- 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 | 0.6831 | Relay (1.0) Calculated Property | |
| ΔfG° | 74.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.194 | Crippen Calculated Property | |
| McVol | 252.580 | ml/mol | McGowan Calculated Property |
| Pc | 1913.58 | kPa | Joback Calculated Property |
| Tboil | 624.90 | K | Relay (1.0) Calculated Property |
| Tc | 910.89 | K | Relay (1.0) Calculated Property |
| Tfus | 390.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.857 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [772.30; 846.34] | J/mol×K | [852.30; 1076.83] | 
|
| Cp,gas | 772.30 | J/mol×K | 852.30 | Joback Calculated Property |
| Cp,gas | 786.96 | J/mol×K | 889.72 | Joback Calculated Property |
| Cp,gas | 800.55 | J/mol×K | 927.14 | Joback Calculated Property |
| Cp,gas | 813.17 | J/mol×K | 964.56 | Joback Calculated Property |
| Cp,gas | 824.93 | J/mol×K | 1001.98 | Joback Calculated Property |
| Cp,gas | 835.96 | J/mol×K | 1039.40 | Joback Calculated Property |
| Cp,gas | 846.34 | J/mol×K | 1076.83 | Joback Calculated Property |
| η | [0.0000106; 0.0012064] | Pa×s | [451.17; 852.30] |
|
| η | 0.0012064 | Pa×s | 451.17 | Joback Calculated Property |
| η | 0.0003290 | Pa×s | 518.02 | Joback Calculated Property |
| η | 0.0001207 | Pa×s | 584.88 | Joback Calculated Property |
| η | 0.0000544 | Pa×s | 651.74 | Joback Calculated Property |
| η | 0.0000285 | Pa×s | 718.59 | Joback Calculated Property |
| η | 0.0000166 | Pa×s | 785.44 | Joback Calculated Property |
| η | 0.0000106 | Pa×s | 852.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Hydroxyphenylmethyl)-3,4-dimethyl-1-phenylpentan-2-one.
Sources
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