Chemical Properties of TETRADECYLCYCLOHEXANE (CAS 1795-18-2)

InChI

InChI=1S/C20H40/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h20H,2-19H2,1H3

InChI Key

NQAVPKIJZCHUNS-UHFFFAOYSA-N

Formula

C20H40

SMILES

CCCCCCCCCCCCCCC1CCCCC1

Molecular Weight¹

280.54

CAS

1795-18-2

Other Names

• cyclohexane, tetradecyl-
• n-Tetradecylcyclohexane
• n-tetradecycyclohexane
• tetradecane, 1-cyclohexyl-

• 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.
• I_p : 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7482		Relay (1.0) Calculated Property
ΔcH°liquid	-13167.80 ± 3.00	kJ/mol	NIST
ΔfG°	141.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-419.30 ± 3.30	kJ/mol	NIST
ΔfusH°	39.39	kJ/mol	Joback Calculated Property
ΔvapH°	99.40	kJ/mol	NIST
IE	9.88	eV	Relay (1.0) Calculated Property
log10WS	-8.40		Relay (1.0) Calculated Property
logPoct/wat	7.658		Crippen Calculated Property
McVol	281.800	ml/mol	McGowan Calculated Property
Pc	1162.45	kPa	Joback Calculated Property
Inp	[2016.00; 2084.70]
Inp	2071.00		NIST
Inp	Outlier 2016.00		NIST
Inp	2072.00		NIST
Inp	2084.70		NIST
Inp	2079.10		NIST
Inp	2079.00		NIST
Inp	2036.00		NIST
Inp	2043.00		NIST
Inp	2071.00		NIST
Ip	[2106.00; 2106.00]
Ip	2106.00		NIST
Ip	2106.00		NIST
Tboil	611.00 ± 4.00	K	NIST
Tc	787.92	K	Relay (1.0) Calculated Property
Tfus	[297.15; 298.00]	K
Tfus	297.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	298.00 ± 1.50	K	NIST
Vc	1.078	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tfus(P)	[297.20; 320.30]	K	[100.00; 100100.00]
Tfus(P)	297.20	K	100.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
Tfus(P)	302.20	K	20000.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
Tfus(P)	307.00	K	39900.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
Tfus(P)	311.50	K	60000.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
Tfus(P)	316.00	K	79900.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
Tfus(P)	320.30	K	100100.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[391.64; 1036.22]	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			-8.08970e+01
Coefficient B			2.02592e+00
Coefficient C			-1.14520e-03
Coefficient D			2.36400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	391.64	J/mol×K	273.00	Calculated Property
Cp,gas	502.96	J/mol×K	353.78	Calculated Property
Cp,gas	602.62	J/mol×K	434.56	Calculated Property
Cp,gas	691.35	J/mol×K	515.33	Calculated Property
Cp,gas	769.91	J/mol×K	596.11	Calculated Property
Cp,gas	839.04	J/mol×K	676.89	Calculated Property
Cp,gas	899.48	J/mol×K	757.67	Calculated Property
Cp,gas	952.00	J/mol×K	838.44	Calculated Property
Cp,gas	997.33	J/mol×K	919.22	Calculated Property
Cp,gas	1036.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0080591; 0.0001601]	Pa×s	[297.57; 598.86]	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			-1.26103e+01
Coefficient B			2.31791e+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.			297.57
Temperature range, max.			598.86
η	0.0080591	Pa×s	297.57	Calculated Property
η	0.0036662	Pa×s	331.05	Calculated Property
η	0.0019274	Pa×s	364.53	Calculated Property
η	0.0011290	Pa×s	398.00	Calculated Property
η	0.0007186	Pa×s	431.48	Calculated Property
η	0.0004881	Pa×s	464.95	Calculated Property
η	0.0003492	Pa×s	498.43	Calculated Property
η	0.0002606	Pa×s	531.91	Calculated Property
η	0.0002013	Pa×s	565.38	Calculated Property
η	0.0001601	Pa×s	598.86	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[475.66; 643.45]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.54021e+01
Coefficient B			-5.09371e+03
Coefficient C			-1.38651e+02
Temperature range, min.			475.66
Temperature range, max.			643.45
Pvap	1.33	kPa	475.66	Calculated Property
Pvap	2.94	kPa	494.30	Calculated Property
Pvap	6.01	kPa	512.95	Calculated Property
Pvap	11.46	kPa	531.59	Calculated Property
Pvap	20.62	kPa	550.23	Calculated Property
Pvap	35.25	kPa	568.88	Calculated Property
Pvap	57.64	kPa	587.52	Calculated Property
Pvap	90.63	kPa	606.16	Calculated Property
Pvap	137.63	kPa	624.81	Calculated Property
Pvap	202.66	kPa	643.45	Calculated Property

Similar Compounds

Find more compounds similar to TETRADECYLCYCLOHEXANE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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