- InChI
- InChI=1S/C7H13ClO/c1-2-3-4-5-7(9)6-8/h2-6H2,1H3
- InChI Key
- SNVVZCPNLVAKLC-UHFFFAOYSA-N
- Formula
- C7H13ClO
- SMILES
- CCCCCC(=O)CCl
- Molecular Weight1
- 148.63
- 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 | 0.4654 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.375 | Crippen Calculated Property | |
| McVol | 123.300 | ml/mol | McGowan Calculated Property |
| Pc | 2878.12 | kPa | Joback Calculated Property |
| Inp | [1050.00; 1077.00] |
|
|
| Inp | 1050.00 | NIST | |
| Inp | 1077.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Tboil | 463.16 | K | Relay (1.0) Calculated Property |
| Tc | 660.89 | K | Relay (1.0) Calculated Property |
| Tfus | 297.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.456 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.31; 377.75] | 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 | 1.67750e+01 | |||
| Coefficient B | 6.47620e-01 | |||
| Coefficient C | -3.58700e-04 | |||
| Coefficient D | 7.20600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 168.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 204.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 236.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 265.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 290.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 313.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 332.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 350.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 364.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 377.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041001; 0.0003508] | Pa×s | [248.50; 444.13] |
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 | -1.10785e+01 | |||
| Coefficient B | 1.38707e+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. | 248.50 | |||
| Temperature range, max. | 444.13 | |||
| η | 0.0041001 | Pa×s | 248.50 | Calculated Property |
| η | 0.0026170 | Pa×s | 270.24 | Calculated Property |
| η | 0.0017859 | Pa×s | 291.97 | Calculated Property |
| η | 0.0012850 | Pa×s | 313.71 | Calculated Property |
| η | 0.0009649 | Pa×s | 335.45 | Calculated Property |
| η | 0.0007502 | Pa×s | 357.18 | Calculated Property |
| η | 0.0006004 | Pa×s | 378.92 | Calculated Property |
| η | 0.0004922 | Pa×s | 400.66 | Calculated Property |
| η | 0.0004119 | Pa×s | 422.39 | Calculated Property |
| η | 0.0003508 | Pa×s | 444.13 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Chloroheptan-2-one.
Sources
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