- InChI
- InChI=1S/C8H7IO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key
- CREOHKRPSSUXCW-UHFFFAOYSA-N
- Formula
- C8H7IO
- SMILES
- O=C(CI)c1ccccc1
- Molecular Weight1
- 246.05
- CAS
- 4636-16-2
- 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 | 0.4082 | Relay (1.0) Calculated Property | |
| ΔfG° | 58.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -12.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | NIST |
| log10WS | -2.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.304 | Crippen Calculated Property | |
| McVol | 127.210 | ml/mol | McGowan Calculated Property |
| Pc | 3838.78 | kPa | Joback Calculated Property |
| Tboil | 543.15 | K | Relay (1.0) Calculated Property |
| Tc | 817.67 | K | Relay (1.0) Calculated Property |
| Tfus | 369.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.434 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [135.94; 311.72] | 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 | -1.92390e+01 | |||
| Coefficient B | 6.95900e-01 | |||
| Coefficient C | -5.05300e-04 | |||
| Coefficient D | 1.40360e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 135.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 169.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 199.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 224.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 245.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 263.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 279.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 291.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 302.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 311.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034716; 0.0003094] | Pa×s | [314.33; 568.78] |
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 | -1.10675e+01 | |||
| Coefficient B | 1.69875e+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. | 314.33 | |||
| Temperature range, max. | 568.78 | |||
| η | 0.0034716 | Pa×s | 314.33 | Calculated Property |
| η | 0.0022225 | Pa×s | 342.60 | Calculated Property |
| η | 0.0015230 | Pa×s | 370.88 | Calculated Property |
| η | 0.0011010 | Pa×s | 399.15 | Calculated Property |
| η | 0.0008309 | Pa×s | 427.42 | Calculated Property |
| η | 0.0006493 | Pa×s | 455.69 | Calculated Property |
| η | 0.0005222 | Pa×s | 483.97 | Calculated Property |
| η | 0.0004302 | Pa×s | 512.24 | Calculated Property |
| η | 0.0003617 | Pa×s | 540.51 | Calculated Property |
| η | 0.0003094 | Pa×s | 568.78 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 2-iodo-1-phenyl-.
Sources
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