- 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° | 68.26 | 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 | 734.39 | K | Relay (1.0) Calculated Property |
| Tfus | 275.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.573 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.40; 509.45] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.62480e+01 | |||
| Coefficient B | 1.04284e+00 | |||
| Coefficient C | -6.44700e-04 | |||
| Coefficient D | 1.47560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 203.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 258.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 307.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 350.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 387.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 420.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 447.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 471.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 492.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 509.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041343; 0.0002357] | Pa×s | [286.35; 536.88] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.16270e+01 | |||
| Coefficient B | 1.75779e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 286.35 | |||
| Temperature range, max. | 536.88 | |||
| η | 0.0041343 | Pa×s | 286.35 | Calculated Property |
| η | 0.0024000 | Pa×s | 314.19 | Calculated Property |
| η | 0.0015221 | Pa×s | 342.02 | Calculated Property |
| η | 0.0010339 | Pa×s | 369.86 | Calculated Property |
| η | 0.0007413 | Pa×s | 397.69 | Calculated Property |
| η | 0.0005552 | Pa×s | 425.53 | Calculated Property |
| η | 0.0004308 | Pa×s | 453.37 | Calculated Property |
| η | 0.0003443 | Pa×s | 481.20 | Calculated Property |
| η | 0.0002819 | Pa×s | 509.04 | Calculated Property |
| η | 0.0002357 | Pa×s | 536.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Isocaprophenone.
Sources
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