Chemical Properties of Cyclohexadecane (CAS 295-65-8)

InChI

InChI=1S/C16H32/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-16H2

InChI Key

JJWIOXUMXIOXQN-UHFFFAOYSA-N

Formula

C16H32

SMILES

C1CCCCCCCCCCCCCCC1

Molecular Weight¹

224.43

CAS

295-65-8

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid 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_fusH : Enthalpy of fusion at a given temperature (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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.2253		Relay (1.0) Calculated Property
ΔcH°solid	-10466.00 ± 1.00	kJ/mol	NIST
ΔfG°	-5.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-369.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.96	kJ/mol	Joback Calculated Property
ΔvapH°	73.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-6.50		Relay (1.0) Calculated Property
logPoct/wat	6.242		Crippen Calculated Property
McVol	225.440	ml/mol	McGowan Calculated Property
Pc	1947.51	kPa	Joback Calculated Property
Inp	[1876.00; 1883.00]
Inp	1883.00		NIST
Inp	1880.00		NIST
Inp	1881.00		NIST
Inp	1876.00		NIST
Inp	1883.00		NIST
Tboil	595.41	K	Relay (1.0) Calculated Property
Tc	778.64	K	Relay (1.0) Calculated Property
Tfus	[332.00; 333.70]	K
Tfus	333.70 ± 0.30	K	NIST
Tfus	332.00 ± 0.50	K	NIST
Vc	0.767	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[1.26; 18.83]	kJ/mol	[271.20; 332.20]
ΔfusH	18.83	kJ/mol	271.20	NIST
ΔfusH	1.26	kJ/mol	283.20	NIST
ΔfusH	4.18	kJ/mol	332.20	NIST
ΔfusH	4.18	kJ/mol	332.20	NIST
ΔfusS	[4.43; 69.42]	J/mol×K	[271.20; 332.20]
ΔfusS	69.42	J/mol×K	271.20	NIST
ΔfusS	4.43	J/mol×K	283.20	NIST
ΔfusS	12.59	J/mol×K	332.20	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[255.60; 840.99]	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			-1.34410e+02
Coefficient B			1.57640e+00
Coefficient C			-5.19000e-04
Coefficient D			-8.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.60	J/mol×K	273.00	Calculated Property
Cp,gas	354.70	J/mol×K	353.78	Calculated Property
Cp,gas	445.89	J/mol×K	434.56	Calculated Property
Cp,gas	528.91	J/mol×K	515.33	Calculated Property
Cp,gas	603.50	J/mol×K	596.11	Calculated Property
Cp,gas	669.41	J/mol×K	676.89	Calculated Property
Cp,gas	726.37	J/mol×K	757.67	Calculated Property
Cp,gas	774.13	J/mol×K	838.44	Calculated Property
Cp,gas	812.42	J/mol×K	919.22	Calculated Property
Cp,gas	840.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038119; 0.0000092]	Pa×s	[332.85; 621.24]	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			-1.85564e+01
Coefficient B			4.32266e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			332.85
Temperature range, max.			621.24
η	0.0038119	Pa×s	332.85	Calculated Property
η	0.0012186	Pa×s	364.89	Calculated Property
η	0.0004683	Pa×s	396.94	Calculated Property
η	0.0002076	Pa×s	428.98	Calculated Property
η	0.0001031	Pa×s	461.02	Calculated Property
η	0.0000560	Pa×s	493.07	Calculated Property
η	0.0000328	Pa×s	525.11	Calculated Property
η	0.0000204	Pa×s	557.15	Calculated Property
η	0.0000134	Pa×s	589.20	Calculated Property
η	0.0000092	Pa×s	621.24	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[417.59; 614.10]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.36568e+01
Coefficient B			-4.36416e+03
Coefficient C			-9.11500e+01
Temperature range, min.			417.59
Temperature range, max.			614.10
Pvap	1.33	kPa	417.59	Calculated Property
Pvap	3.08	kPa	439.42	Calculated Property
Pvap	6.46	kPa	461.26	Calculated Property
Pvap	12.45	kPa	483.09	Calculated Property
Pvap	22.41	kPa	504.93	Calculated Property
Pvap	38.03	kPa	526.76	Calculated Property
Pvap	61.34	kPa	548.60	Calculated Property
Pvap	94.74	kPa	570.43	Calculated Property
Pvap	140.87	kPa	592.27	Calculated Property
Pvap	202.65	kPa	614.10	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexadecane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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