Chemical Properties of Cyclopentane, hexyl- (CAS 4457-00-5)

InChI

InChI=1S/C11H22/c1-2-3-4-5-8-11-9-6-7-10-11/h11H,2-10H2,1H3

InChI Key

LKHGKBBAJAFMSQ-UHFFFAOYSA-N

Formula

C11H22

SMILES

CCCCCCC1CCCC1

Molecular Weight¹

154.29

CAS

4457-00-5

Other Names

• Hexylcyclopentane
• N-HEXYLCYCLOPENTANE

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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
ΔcH°liquid	-7263.40 ± 1.50	kJ/mol	NIST
ΔfG°	78.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-209.50 ± 1.60	kJ/mol	NIST
ΔfusH°	18.18	kJ/mol	Joback Calculated Property
ΔvapH°	55.90	kJ/mol	NIST
IE	9.90 ± 0.03	eV	NIST
log10WS	-4.08		Crippen Calculated Property
logPoct/wat	4.147		Crippen Calculated Property
McVol	154.990	ml/mol	McGowan Calculated Property
Pc	2280.59	kPa	Joback Calculated Property
Inp	[1132.00; 1141.00]
Inp	1137.90		NIST
Inp	1137.00		NIST
Inp	1141.00		NIST
Inp	1133.00		NIST
Inp	1135.00		NIST
Inp	1138.00		NIST
Inp	1141.00		NIST
Inp	1133.00		NIST
Inp	1136.00		NIST
Inp	1136.00		NIST
Inp	1132.00		NIST
Inp	1134.00		NIST
Inp	1134.00		NIST
Inp	1134.00		NIST
Inp	1136.00		NIST
I	[1187.50; 1212.40]
I	1207.00		NIST
I	1194.00		NIST
I	1199.00		NIST
I	1196.00		NIST
I	1200.00		NIST
I	1204.00		NIST
I	1208.00		NIST
I	1212.00		NIST
I	1188.00		NIST
I	1192.00		NIST
I	1196.20		NIST
I	1199.70		NIST
I	1204.40		NIST
I	1208.50		NIST
I	1212.40		NIST
I	1187.50		NIST
I	1192.00		NIST
I	1207.00		NIST
Tboil	466.36	K	Joback Calculated Property
Tc	653.79	K	Joback Calculated Property
Tfus	224.63	K	Joback Calculated Property
Vc	0.593	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[346.42; 448.64]	J/mol×K	[466.36; 653.79]
Cp,gas	346.42	J/mol×K	466.36	Joback Calculated Property
Cp,gas	365.63	J/mol×K	497.60	Joback Calculated Property
Cp,gas	383.93	J/mol×K	528.84	Joback Calculated Property
Cp,gas	401.35	J/mol×K	560.08	Joback Calculated Property
Cp,gas	417.92	J/mol×K	591.31	Joback Calculated Property
Cp,gas	433.68	J/mol×K	622.55	Joback Calculated Property
Cp,gas	448.64	J/mol×K	653.79	Joback Calculated Property
η	[0.0002968; 0.0053976]	Pa×s	[224.63; 466.36]
η	0.0053976	Pa×s	224.63	Joback Calculated Property
η	0.0023045	Pa×s	264.92	Joback Calculated Property
η	0.0012318	Pa×s	305.21	Joback Calculated Property
η	0.0007620	Pa×s	345.50	Joback Calculated Property
η	0.0005211	Pa×s	385.78	Joback Calculated Property
η	0.0003829	Pa×s	426.07	Joback Calculated Property
η	0.0002968	Pa×s	466.36	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[355.51; 492.07]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56840e+01
Coefficient B			-4.34114e+03
Coefficient C			-7.35500e+01
Temperature range, min.			355.51
Temperature range, max.			492.07
Pvap	1.33	kPa	355.51	Calculated Property
Pvap	2.93	kPa	370.68	Calculated Property
Pvap	5.95	kPa	385.86	Calculated Property
Pvap	11.33	kPa	401.03	Calculated Property
Pvap	20.39	kPa	416.20	Calculated Property
Pvap	34.88	kPa	431.38	Calculated Property
Pvap	57.14	kPa	446.55	Calculated Property
Pvap	90.06	kPa	461.72	Calculated Property
Pvap	137.17	kPa	476.90	Calculated Property
Pvap	202.64	kPa	492.07	Calculated Property
Pvap	[1.30; 200.37]	kPa	[351.00; 507.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.21252e+02
Coefficient B			-1.09839e+04
Coefficient C			-1.54782e+01
Coefficient D			8.22833e-06
Temperature range, min.			351.00
Temperature range, max.			507.15
Pvap	1.30	kPa	351.00	Calculated Property
Pvap	2.97	kPa	368.35	Calculated Property
Pvap	6.20	kPa	385.70	Calculated Property
Pvap	11.97	kPa	403.05	Calculated Property
Pvap	21.60	kPa	420.40	Calculated Property
Pvap	36.77	kPa	437.75	Calculated Property
Pvap	59.57	kPa	455.10	Calculated Property
Pvap	92.46	kPa	472.45	Calculated Property
Pvap	138.30	kPa	489.80	Calculated Property
Pvap	200.37	kPa	507.15	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane, hexyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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