- InChI
- InChI=1S/C12H16O/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
- InChI Key
- WRJZDDJYWWJLIS-UHFFFAOYSA-N
- Formula
- C12H16O
- SMILES
- CC(C)CCC(=O)c1ccccc1
- Molecular Weight1
- 176.25
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5041 | Relay (1.0) Calculated Property | |
| ΔfG° | 31.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.305 | Crippen Calculated Property | |
| McVol | 157.750 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Inp | 1396.00 | NIST | |
| Tboil | 526.22 | K | Relay (1.0) Calculated Property |
| Tc | 731.44 | K | Relay (1.0) Calculated Property |
| Tfus | 280.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.572 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.74; 450.82] | J/mol×K | [554.07; 766.69] | 
|
| Cp,gas | 368.74 | J/mol×K | 554.07 | Joback Calculated Property |
| Cp,gas | 384.70 | J/mol×K | 589.51 | Joback Calculated Property |
| Cp,gas | 399.69 | J/mol×K | 624.94 | Joback Calculated Property |
| Cp,gas | 413.76 | J/mol×K | 660.38 | Joback Calculated Property |
| Cp,gas | 426.95 | J/mol×K | 695.82 | Joback Calculated Property |
| Cp,gas | 439.29 | J/mol×K | 731.25 | Joback Calculated Property |
| Cp,gas | 450.82 | J/mol×K | 766.69 | Joback Calculated Property |
| η | [0.0002129; 0.0041343] | Pa×s | [286.35; 554.07] |
|
| η | 0.0041343 | Pa×s | 286.35 | Joback Calculated Property |
| η | 0.0018071 | Pa×s | 330.97 | Joback Calculated Property |
| η | 0.0009615 | Pa×s | 375.59 | Joback Calculated Property |
| η | 0.0005850 | Pa×s | 420.21 | Joback Calculated Property |
| η | 0.0003915 | Pa×s | 464.83 | Joback Calculated Property |
| η | 0.0002811 | Pa×s | 509.45 | Joback Calculated Property |
| η | 0.0002129 | Pa×s | 554.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isocaprophenone.
Sources
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