Chemical Properties of Propane, 1-(2-chloroethyl)-3-(1-propenyl)

InChI

InChI=1S/C8H15ClO2/c1-2-5-10-6-3-7-11-8-4-9/h2,5H,3-4,6-8H2,1H3/b5-2+

InChI Key

CVSJNSVXNIDUCY-GORDUTHDSA-N

Formula

C8H15ClO2

SMILES

CC=COCCCOCCCl

Molecular Weight¹

178.66

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.40; 446.75]	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			4.53250e+01
Coefficient B			6.64220e-01
Coefficient C			-2.93600e-04
Coefficient D			3.08000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.40	J/mol×K	273.00	Calculated Property
Cp,gas	244.93	J/mol×K	353.78	Calculated Property
Cp,gas	281.05	J/mol×K	434.56	Calculated Property
Cp,gas	313.86	J/mol×K	515.33	Calculated Property
Cp,gas	343.47	J/mol×K	596.11	Calculated Property
Cp,gas	369.96	J/mol×K	676.89	Calculated Property
Cp,gas	393.44	J/mol×K	757.67	Calculated Property
Cp,gas	413.99	J/mol×K	838.44	Calculated Property
Cp,gas	431.73	J/mol×K	919.22	Calculated Property
Cp,gas	446.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025787; 0.0001860]	Pa×s	[249.22; 453.28]	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			-1.18005e+01
Coefficient B			1.45546e+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.			249.22
Temperature range, max.			453.28
η	0.0025787	Pa×s	249.22	Calculated Property
η	0.0015845	Pa×s	271.89	Calculated Property
η	0.0010495	Pa×s	294.57	Calculated Property
η	0.0007372	Pa×s	317.24	Calculated Property
η	0.0005429	Pa×s	339.91	Calculated Property
η	0.0004153	Pa×s	362.58	Calculated Property
η	0.0003280	Pa×s	385.26	Calculated Property
η	0.0002658	Pa×s	407.93	Calculated Property
η	0.0002203	Pa×s	430.60	Calculated Property
η	0.0001860	Pa×s	453.28	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1-(2-chloroethyl)-3-(1-propenyl).

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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