Chemical Properties of Cyclohexane, undecyl- (CAS 54105-66-7)

InChI

InChI=1S/C17H34/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h17H,2-16H2,1H3

InChI Key

XQQVOBPJWHQXEN-UHFFFAOYSA-N

Formula

C17H34

SMILES

CCCCCCCCCCCC1CCCCC1

Molecular Weight¹

238.45

CAS

54105-66-7

Other Names

• 1-cyclohexylundecane
• n-Undecylcylcohexane
• n-undecylcyclohexane
• undecane, 1-cyclohexyl-
• undecylcyclohexane

• ω : Acentric Factor.
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_fus(P) : Melting point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6460		KDB
ΔcH°liquid	-11191.50 ± 2.40	kJ/mol	NIST
ΔfG°	116.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-357.40 ± 2.60	kJ/mol	NIST
ΔfusH°	31.62	kJ/mol	Joback Calculated Property
ΔvapH°	84.60	kJ/mol	NIST
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	-7.58		Relay (1.0) Calculated Property
logPoct/wat	6.488		Crippen Calculated Property
McVol	239.530	ml/mol	McGowan Calculated Property
Pc	1430.00	kPa	KDB
Inp	[1760.00; 1760.00]
Inp	1760.00		NIST
Inp	1760.00		NIST
Tboil	[574.00; 586.30]	K
Tboil	586.30	K	KDB
Tboil	574.00 ± 4.00	K	NIST
Tc	761.70	K	KDB
Tfus	279.00	K	KDB
Vc	0.920	m3/kmol	KDB
Zc	0.2078450		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[52.05; 67.00]	kJ/mol	[536.00; 586.30]
ΔvapH	67.00	kJ/mol	536.00	NIST
ΔvapH	52.05	kJ/mol	586.30	KDB

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tfus(P)	[272.40; 293.90]	K	[100.00; 100000.00]
Tfus(P)	272.40	K	100.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
Tfus(P)	276.80	K	20000.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
Tfus(P)	281.30	K	40000.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
Tfus(P)	285.70	K	60000.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
Tfus(P)	289.90	K	80500.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
Tfus(P)	293.90	K	100000.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[328.00; 881.45]	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			-7.81700e+01
Coefficient B			1.74092e+00
Coefficient C			-9.82000e-04
Coefficient D			2.00700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	328.00	J/mol×K	273.00	Calculated Property
Cp,gas	423.71	J/mol×K	353.78	Calculated Property
Cp,gas	509.39	J/mol×K	434.56	Calculated Property
Cp,gas	585.66	J/mol×K	515.33	Calculated Property
Cp,gas	653.17	J/mol×K	596.11	Calculated Property
Cp,gas	712.55	J/mol×K	676.89	Calculated Property
Cp,gas	764.43	J/mol×K	757.67	Calculated Property
Cp,gas	809.46	J/mol×K	838.44	Calculated Property
Cp,gas	848.25	J/mol×K	919.22	Calculated Property
Cp,gas	881.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0075943; 0.0002344]	Pa×s	[279.00; 533.19]	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			-1.21758e+01
Coefficient B			2.03543e+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.			279.00
Temperature range, max.			533.19
η	0.0075943	Pa×s	279.00	Calculated Property
η	0.0038836	Pa×s	307.24	Calculated Property
η	0.0022234	Pa×s	335.49	Calculated Property
η	0.0013881	Pa×s	363.73	Calculated Property
η	0.0009275	Pa×s	391.97	Calculated Property
η	0.0006542	Pa×s	420.22	Calculated Property
η	0.0004822	Pa×s	448.46	Calculated Property
η	0.0003685	Pa×s	476.70	Calculated Property
η	0.0002902	Pa×s	504.95	Calculated Property
η	0.0002344	Pa×s	533.19	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[440.35; 606.07]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.53758e+01
Coefficient B			-5.00915e+03
Coefficient C			-1.08357e+02
Temperature range, min.			440.35
Temperature range, max.			606.07
Pvap	1.33	kPa	440.35	Calculated Property
Pvap	2.95	kPa	458.76	Calculated Property
Pvap	6.01	kPa	477.18	Calculated Property
Pvap	11.47	kPa	495.59	Calculated Property
Pvap	20.64	kPa	514.00	Calculated Property
Pvap	35.28	kPa	532.42	Calculated Property
Pvap	57.69	kPa	550.83	Calculated Property
Pvap	90.68	kPa	569.24	Calculated Property
Pvap	137.67	kPa	587.66	Calculated Property
Pvap	202.65	kPa	606.07	Calculated Property
Pvap	[2.96; 280.47]	kPa	[460.00; 642.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			1.46191e+02
Coefficient B			-1.53860e+04
Coefficient C			-1.84191e+01
Coefficient D			6.02369e-06
Coefficient E			0.00000e+00
Temperature range, min.			460.00
Temperature range, max.			642.00
Pvap	2.96	kPa	460.00	Calculated Property
Pvap	6.15	kPa	480.22	Calculated Property
Pvap	11.84	kPa	500.44	Calculated Property
Pvap	21.33	kPa	520.67	Calculated Property
Pvap	36.33	kPa	540.89	Calculated Property
Pvap	58.90	kPa	561.11	Calculated Property
Pvap	91.54	kPa	581.33	Calculated Property
Pvap	137.10	kPa	601.56	Calculated Property
Pvap	198.85	kPa	621.78	Calculated Property
Pvap	280.47	kPa	642.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, undecyl-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.