- InChI
- InChI=1S/C17H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18/h2-16H2,1H3
- InChI Key
- AHDGMFJASVYUIA-UHFFFAOYSA-N
- Formula
- C17H33ClO
- SMILES
- CCCCCCCCCCCCCCCC(=O)CCl
- Molecular Weight1
- 288.90
- CAS
- 23546-12-5
- 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 | 0.8371 | Relay (1.0) Calculated Property | |
| ΔfG° | -48.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -565.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.276 | Crippen Calculated Property | |
| McVol | 264.200 | ml/mol | McGowan Calculated Property |
| Pc | 1253.92 | kPa | Joback Calculated Property |
| Tboil | 587.34 | K | Relay (1.0) Calculated Property |
| Tc | 791.10 | K | Relay (1.0) Calculated Property |
| Tfus | 342.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.015 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.45; 893.67] | 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 | 7.68500e+00 | |||
| Coefficient B | 1.59762e+00 | |||
| Coefficient C | -9.02700e-04 | |||
| Coefficient D | 1.91060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 380.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 468.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 547.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 617.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 679.74 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 734.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 783.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 825.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 861.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 893.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025880; 0.0002038] | Pa×s | [361.20; 596.22] |
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 | -1.24039e+01 | |||
| Coefficient B | 2.32867e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 361.20 | |||
| Temperature range, max. | 596.22 | |||
| η | 0.0025880 | Pa×s | 361.20 | Calculated Property |
| η | 0.0016757 | Pa×s | 387.31 | Calculated Property |
| η | 0.0011462 | Pa×s | 413.43 | Calculated Property |
| η | 0.0008202 | Pa×s | 439.54 | Calculated Property |
| η | 0.0006094 | Pa×s | 465.65 | Calculated Property |
| η | 0.0004673 | Pa×s | 491.77 | Calculated Property |
| η | 0.0003680 | Pa×s | 517.88 | Calculated Property |
| η | 0.0002966 | Pa×s | 543.99 | Calculated Property |
| η | 0.0002438 | Pa×s | 570.10 | Calculated Property |
| η | 0.0002038 | Pa×s | 596.22 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Chloro-heptadecanone-2.
Sources
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