Chemical Properties of Cyclohexene, 1-chloro- (CAS 930-66-5)

InChI

InChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h4H,1-3,5H2

InChI Key

BUAKPITZELZWNI-UHFFFAOYSA-N

Formula

C6H9Cl

SMILES

ClC1=CCCCC1

Molecular Weight¹

116.59

CAS

930-66-5

Other Names

• 1-Chlorocyclohex-1-ene
• 1-Chlorocyclohexene
• 1-Chlorocyclohexene-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-14.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.09	kJ/mol	Joback Calculated Property
ΔvapH°	38.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-2.90		Relay (1.0) Calculated Property
logPoct/wat	2.683		Crippen Calculated Property
McVol	92.480	ml/mol	McGowan Calculated Property
Pc	4046.64	kPa	Joback Calculated Property
Inp	[876.00; 894.00]
Inp	894.00		NIST
Inp	894.00		NIST
Inp	876.00		NIST
Ip	[1177.00; 1177.00]
Ip	1177.00		NIST
Ip	1177.00		NIST
Ip	1177.00		NIST
Tboil	[413.90; 414.00]	K
Tboil	414.00 ± 4.00	K	NIST
Tboil	413.90 ± 3.00	K	NIST
Tboil	414.00 ± 4.00	K	NIST
Tc	624.76	K	Relay (1.0) Calculated Property
Tfus	183.74	K	Relay (1.0) Calculated Property
Vc	0.329	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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	[101.86; 281.22]	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			-3.91400e+01
Coefficient B			6.13700e-01
Coefficient C			-3.79640e-04
Coefficient D			8.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	101.86	J/mol×K	273.00	Calculated Property
Cp,gas	134.28	J/mol×K	353.78	Calculated Property
Cp,gas	162.94	J/mol×K	434.56	Calculated Property
Cp,gas	188.11	J/mol×K	515.33	Calculated Property
Cp,gas	210.07	J/mol×K	596.11	Calculated Property
Cp,gas	229.09	J/mol×K	676.89	Calculated Property
Cp,gas	245.44	J/mol×K	757.67	Calculated Property
Cp,gas	259.40	J/mol×K	838.44	Calculated Property
Cp,gas	271.23	J/mol×K	919.22	Calculated Property
Cp,gas	281.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052655; 0.0002458]	Pa×s	[212.20; 434.24]	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			-1.12393e+01
Coefficient B			1.27166e+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.			212.20
Temperature range, max.			434.24
η	0.0052655	Pa×s	212.20	Calculated Property
η	0.0028208	Pa×s	236.87	Calculated Property
η	0.0017000	Pa×s	261.54	Calculated Property
η	0.0011180	Pa×s	286.21	Calculated Property
η	0.0007858	Pa×s	310.88	Calculated Property
η	0.0005817	Pa×s	335.55	Calculated Property
η	0.0004487	Pa×s	360.22	Calculated Property
η	0.0003578	Pa×s	384.89	Calculated Property
η	0.0002933	Pa×s	409.56	Calculated Property
η	0.0002458	Pa×s	434.24	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 1-chloro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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