Chemical Properties of 3-Chloropropylcyclohexane

InChI

InChI=1S/C9H17Cl/c10-8-4-7-9-5-2-1-3-6-9/h9H,1-8H2

InChI Key

QEISABAAOUXQNG-UHFFFAOYSA-N

Formula

C9H17Cl

SMILES

ClCCCC1CCCCC1

Molecular Weight¹

160.69

Other Names

• Cyclohexane, (3-chloropropyl)-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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.
• 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
ω	0.3495		Relay (1.0) Calculated Property
ΔfG°	37.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-212.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.10	kJ/mol	Joback Calculated Property
ΔvapH°	54.40	kJ/mol	Relay (1.0) Calculated Property
IE	10.06	eV	Relay (1.0) Calculated Property
log10WS	-4.62		Relay (1.0) Calculated Property
logPoct/wat	3.586		Crippen Calculated Property
McVol	139.050	ml/mol	McGowan Calculated Property
Pc	2729.71	kPa	Joback Calculated Property
Inp	[1187.00; 1238.00]
Inp	1238.00		NIST
Inp	1187.00		NIST
Tboil	481.80	K	Relay (1.0) Calculated Property
Tc	704.32	K	Relay (1.0) Calculated Property
Tfus	208.42	K	Relay (1.0) Calculated Property
Vc	0.484	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[171.69; 476.99]	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			-5.80070e+01
Coefficient B			9.87700e-01
Coefficient C			-5.67200e-04
Coefficient D			1.14500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.69	J/mol×K	273.00	Calculated Property
Cp,gas	225.50	J/mol×K	353.78	Calculated Property
Cp,gas	273.49	J/mol×K	434.56	Calculated Property
Cp,gas	316.03	J/mol×K	515.33	Calculated Property
Cp,gas	353.47	J/mol×K	596.11	Calculated Property
Cp,gas	386.19	J/mol×K	676.89	Calculated Property
Cp,gas	414.54	J/mol×K	757.67	Calculated Property
Cp,gas	438.88	J/mol×K	838.44	Calculated Property
Cp,gas	459.58	J/mol×K	919.22	Calculated Property
Cp,gas	476.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0073626; 0.0002844]	Pa×s	[228.49; 467.76]	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			-1.12725e+01
Coefficient B			1.45347e+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.			228.49
Temperature range, max.			467.76
η	0.0073626	Pa×s	228.49	Calculated Property
η	0.0037940	Pa×s	255.08	Calculated Property
η	0.0022157	Pa×s	281.66	Calculated Property
η	0.0014198	Pa×s	308.25	Calculated Property
η	0.0009764	Pa×s	334.83	Calculated Property
η	0.0007095	Pa×s	361.42	Calculated Property
η	0.0005386	Pa×s	388.00	Calculated Property
η	0.0004236	Pa×s	414.59	Calculated Property
η	0.0003429	Pa×s	441.18	Calculated Property
η	0.0002844	Pa×s	467.76	Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloropropylcyclohexane.

Sources

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

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