Chemical Properties of Cyclohexene, 1-chloro-4-(1-chloroethenyl)- (CAS 13547-06-3)

InChI

InChI=1S/C8H10Cl2/c1-6(9)7-2-4-8(10)5-3-7/h4,7H,1-3,5H2

InChI Key

RRBHRPHCJASXKZ-UHFFFAOYSA-N

Formula

C8H10Cl2

SMILES

C=C(Cl)C1CC=C(Cl)CC1

Molecular Weight¹

177.07

CAS

13547-06-3

Other Names

• Cyclohexene, 1-chloro-4-(1-chlorovinyl)-
• 1-Chloro-4-(«alpha»-chlorovinyl)cyclohexene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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.
• 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
ΔfG°	116.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-23.66	kJ/mol	Joback Calculated Property
ΔfusH°	14.95	kJ/mol	Joback Calculated Property
ΔvapH°	42.97	kJ/mol	Joback Calculated Property
log10WS	-3.83		Crippen Calculated Property
logPoct/wat	3.662		Crippen Calculated Property
McVol	128.600	ml/mol	McGowan Calculated Property
Pc	3131.49	kPa	Joback Calculated Property
Inp	[1259.00; 1259.00]
Inp	1259.00		NIST
Inp	1259.00		NIST
Tboil	477.55	K	Joback Calculated Property
Tc	705.31	K	Joback Calculated Property
Tfus	244.70	K	Joback Calculated Property
Vc	0.482	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.83; 314.50]	J/mol×K	[477.55; 705.31]
Cp,gas	242.83	J/mol×K	477.55	Joback Calculated Property
Cp,gas	256.87	J/mol×K	515.51	Joback Calculated Property
Cp,gas	270.03	J/mol×K	553.47	Joback Calculated Property
Cp,gas	282.34	J/mol×K	591.43	Joback Calculated Property
Cp,gas	293.83	J/mol×K	629.39	Joback Calculated Property
Cp,gas	304.54	J/mol×K	667.35	Joback Calculated Property
Cp,gas	314.50	J/mol×K	705.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 1-chloro-4-(1-chloroethenyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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