Chemical Properties of Batilol (CAS 544-62-7)

InChI

InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3

InChI Key

OGBUMNBNEWYMNJ-UHFFFAOYSA-N

Formula

C21H44O3

SMILES

CCCCCCCCCCCCCCCCCCOCC(O)CO

Molecular Weight¹

344.57

CAS

544-62-7

Other Names

• dl-Batyl alcohol
• Bathyl alcohol
• Batyl alcohol
• 1,2-Propanediol, 3-(octadecyloxy)-
• «alpha»-Octadecylether of glycerol
• C18:0 Glyceryl 1-ether
• Glycerol monooctadecyl ether
• Glycerol 1-octadecyl ether
• Glyceryl-1-octadecyl ether
• Stearyl monoglyceride
• 1-(Octadecyloxy)-2,3-dihydroxypropane
• 1-O-Octadecylglycerol
• 3-(Octadecyloxy)-1,2-propanediol
• Glycerine 1-monostearyl ether
• Monooctadecyl ether of glycerol
• Batylol
• NSC 284200
• Batil alcohol

• 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	1.2923		Relay (1.0) Calculated Property
ΔfH°gas	-912.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.99	kJ/mol	Joback Calculated Property
ΔvapH°	145.84	kJ/mol	Relay (1.0) Calculated Property
IE	9.97	eV	Relay (1.0) Calculated Property
log10WS	-6.55		Relay (1.0) Calculated Property
logPoct/wat	5.618		Crippen Calculated Property
McVol	324.360	ml/mol	McGowan Calculated Property
Pc	1068.66	kPa	Joback Calculated Property
Inp	[2608.70; 2608.70]
Inp	2608.70		NIST
Inp	2608.70		NIST
Tboil	659.85	K	Relay (1.0) Calculated Property
Tc	843.40	K	Relay (1.0) Calculated Property
Tfus	337.29	K	Relay (1.0) Calculated Property
Vc	1.254	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	[491.06; 1159.12]	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			1.81990e+01
Coefficient B			2.00952e+00
Coefficient C			-1.07160e-03
Coefficient D			2.03000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	491.06	J/mol×K	273.00	Calculated Property
Cp,gas	603.99	J/mol×K	353.78	Calculated Property
Cp,gas	705.75	J/mol×K	434.56	Calculated Property
Cp,gas	796.97	J/mol×K	515.33	Calculated Property
Cp,gas	878.31	J/mol×K	596.11	Calculated Property
Cp,gas	950.39	J/mol×K	676.89	Calculated Property
Cp,gas	1013.88	J/mol×K	757.67	Calculated Property
Cp,gas	1069.40	J/mol×K	838.44	Calculated Property
Cp,gas	1117.60	J/mol×K	919.22	Calculated Property
Cp,gas	1159.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007152; 0.0000038]	Pa×s	[455.30; 764.52]	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			-2.01727e+01
Coefficient B			5.88689e+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.			455.30
Temperature range, max.			764.52
η	0.0007152	Pa×s	455.30	Calculated Property
η	0.0002887	Pa×s	489.66	Calculated Property
η	0.0001312	Pa×s	524.02	Calculated Property
η	0.0000657	Pa×s	558.37	Calculated Property
η	0.0000357	Pa×s	592.73	Calculated Property
η	0.0000207	Pa×s	627.09	Calculated Property
η	0.0000127	Pa×s	661.45	Calculated Property
η	0.0000082	Pa×s	695.81	Calculated Property
η	0.0000055	Pa×s	730.17	Calculated Property
η	0.0000038	Pa×s	764.52	Calculated Property

Similar Compounds

Find more compounds similar to Batilol.

Sources

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

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