- InChI
- InChI=1S/C11H14O/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
- InChI Key
- ROPNSYBZOVTZBB-UHFFFAOYSA-N
- Formula
- C11H14O
- SMILES
- CCC(C=O)Cc1ccccc1
- Molecular Weight1
- 162.23
- 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).
- Ip : 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 | 0.4413 | Relay (1.0) Calculated Property | |
| ΔfG° | 52.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -117.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.454 | Crippen Calculated Property | |
| McVol | 143.660 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Ip | 1949.00 | NIST | |
| Tboil | 507.49 | K | Relay (1.0) Calculated Property |
| Tc | 723.56 | K | Relay (1.0) Calculated Property |
| Tfus | 245.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.509 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.17; 459.62] | 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 | -3.12980e+01 | |||
| Coefficient B | 9.50320e-01 | |||
| Coefficient C | -6.02000e-04 | |||
| Coefficient D | 1.42600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 186.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 235.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 279.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 318.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 351.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 380.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 405.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 426.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 444.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 459.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0048580; 0.0002655] | Pa×s | [267.15; 516.03] |
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 | -1.13540e+01 | |||
| Coefficient B | 1.61007e+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. | 267.15 | |||
| Temperature range, max. | 516.03 | |||
| η | 0.0048580 | Pa×s | 267.15 | Calculated Property |
| η | 0.0027601 | Pa×s | 294.80 | Calculated Property |
| η | 0.0017279 | Pa×s | 322.46 | Calculated Property |
| η | 0.0011648 | Pa×s | 350.11 | Calculated Property |
| η | 0.0008318 | Pa×s | 377.76 | Calculated Property |
| η | 0.0006220 | Pa×s | 405.42 | Calculated Property |
| η | 0.0004827 | Pa×s | 433.07 | Calculated Property |
| η | 0.0003861 | Pa×s | 460.73 | Calculated Property |
| η | 0.0003168 | Pa×s | 488.38 | Calculated Property |
| η | 0.0002655 | Pa×s | 516.03 | Calculated Property |
Similar Compounds
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Sources
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