Chemical Properties of Hexadecanoic acid, cyclohexyl ester (CAS 1673-08-1)

InChI

InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h21H,2-20H2,1H3

InChI Key

BMZOQYYROAVSAP-UHFFFAOYSA-N

Formula

C22H42O2

SMILES

CCCCCCCCCCCCCCCC(=O)OC1CCCCC1

Molecular Weight¹

338.57

CAS

1673-08-1

Other Names

• Cyclohexyl palmitate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.9481		Relay (1.0) Calculated Property
ΔfH°gas	-783.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.94	kJ/mol	Joback Calculated Property
ΔvapH°	110.35	kJ/mol	Relay (1.0) Calculated Property
IE	9.81	eV	Relay (1.0) Calculated Property
log10WS	-7.32		Relay (1.0) Calculated Property
logPoct/wat	7.344		Crippen Calculated Property
McVol	317.420	ml/mol	McGowan Calculated Property
Pc	1027.28	kPa	Joback Calculated Property
Inp	[2420.00; 2466.20]
Inp	2466.20		NIST
Inp	2420.00		NIST
Tboil	625.92	K	Relay (1.0) Calculated Property
Tc	835.57	K	Relay (1.0) Calculated Property
Tfus	296.15	K	Relay (1.0) Calculated Property
Vc	1.213	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[450.40; 1147.51]	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			-5.73060e+01
Coefficient B			2.16112e+00
Coefficient C			-1.15940e-03
Coefficient D			2.03100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	450.40	J/mol×K	273.00	Calculated Property
Cp,gas	571.13	J/mol×K	353.78	Calculated Property
Cp,gas	679.55	J/mol×K	434.56	Calculated Property
Cp,gas	776.29	J/mol×K	515.33	Calculated Property
Cp,gas	861.99	J/mol×K	596.11	Calculated Property
Cp,gas	937.31	J/mol×K	676.89	Calculated Property
Cp,gas	1002.88	J/mol×K	757.67	Calculated Property
Cp,gas	1059.34	J/mol×K	838.44	Calculated Property
Cp,gas	1107.34	J/mol×K	919.22	Calculated Property
Cp,gas	1147.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022159; 0.0000909]	Pa×s	[387.41; 676.32]	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			-1.35873e+01
Coefficient B			2.89595e+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.			387.41
Temperature range, max.			676.32
η	0.0022159	Pa×s	387.41	Calculated Property
η	0.0012506	Pa×s	419.51	Calculated Property
η	0.0007656	Pa×s	451.61	Calculated Property
η	0.0005003	Pa×s	483.71	Calculated Property
η	0.0003447	Pa×s	515.82	Calculated Property
η	0.0002481	Pa×s	547.92	Calculated Property
η	0.0001851	Pa×s	580.02	Calculated Property
η	0.0001425	Pa×s	612.12	Calculated Property
η	0.0001126	Pa×s	644.22	Calculated Property
η	0.0000909	Pa×s	676.32	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecanoic acid, cyclohexyl ester.

Sources

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

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