Chemical Properties of Cyclohexyl stearate (CAS 104-07-4)

InChI

InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)26-23-20-17-16-18-21-23/h23H,2-22H2,1H3

InChI Key

NRVKWKPZZQHRSP-UHFFFAOYSA-N

Formula

C24H46O2

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1CCCCC1

Molecular Weight¹

366.62

CAS

104-07-4

• 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	1.0183		Relay (1.0) Calculated Property
ΔfH°gas	-825.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.12	kJ/mol	Joback Calculated Property
ΔvapH°	119.07	kJ/mol	Relay (1.0) Calculated Property
IE	9.88	eV	Relay (1.0) Calculated Property
log10WS	-7.92		Relay (1.0) Calculated Property
logPoct/wat	8.124		Crippen Calculated Property
McVol	345.600	ml/mol	McGowan Calculated Property
Pc	911.63	kPa	Joback Calculated Property
Inp	[2628.00; 2628.00]
Inp	2628.00		NIST
Inp	2628.00		NIST
Tboil	639.12	K	Relay (1.0) Calculated Property
Tc	850.16	K	Relay (1.0) Calculated Property
Tfus	302.81	K	Relay (1.0) Calculated Property
Vc	1.324	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	[492.83; 1250.70]	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			-5.91240e+01
Coefficient B			2.35112e+00
Coefficient C			-1.26820e-03
Coefficient D			2.26900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	492.83	J/mol×K	273.00	Calculated Property
Cp,gas	623.97	J/mol×K	353.78	Calculated Property
Cp,gas	741.70	J/mol×K	434.56	Calculated Property
Cp,gas	846.75	J/mol×K	515.33	Calculated Property
Cp,gas	939.82	J/mol×K	596.11	Calculated Property
Cp,gas	1021.63	J/mol×K	676.89	Calculated Property
Cp,gas	1092.91	J/mol×K	757.67	Calculated Property
Cp,gas	1154.37	J/mol×K	838.44	Calculated Property
Cp,gas	1206.72	J/mol×K	919.22	Calculated Property
Cp,gas	1250.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016915; 0.0000700]	Pa×s	[409.95; 711.00]	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			-1.39056e+01
Coefficient B			3.08427e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			409.95
Temperature range, max.			711.00
η	0.0016915	Pa×s	409.95	Calculated Property
η	0.0009589	Pa×s	443.40	Calculated Property
η	0.0005887	Pa×s	476.85	Calculated Property
η	0.0003853	Pa×s	510.30	Calculated Property
η	0.0002656	Pa×s	543.75	Calculated Property
η	0.0001912	Pa×s	577.20	Calculated Property
η	0.0001427	Pa×s	610.65	Calculated Property
η	0.0001098	Pa×s	644.10	Calculated Property
η	0.0000867	Pa×s	677.55	Calculated Property
η	0.0000700	Pa×s	711.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexyl stearate.

Sources

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

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