Chemical Properties of 1-Docosanol, formate (CAS 15155-62-1)

InChI

InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24/h23H,2-22H2,1H3

InChI Key

YOBPFSBRTYQJGQ-UHFFFAOYSA-N

Formula

C23H46O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCOC=O

Molecular Weight¹

354.61

CAS

15155-62-1

Other Names

• Docosanyl formate

• ω : Acentric Factor.
• 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).
• 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	1.0976		Relay (1.0) Calculated Property
ΔfG°	-115.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-787.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.38	kJ/mol	Joback Calculated Property
ΔvapH°	125.04	kJ/mol	Relay (1.0) Calculated Property
IE	10.30	eV	Relay (1.0) Calculated Property
log10WS	-8.38		Relay (1.0) Calculated Property
logPoct/wat	7.981		Crippen Calculated Property
McVol	342.370	ml/mol	McGowan Calculated Property
Pc	860.49	kPa	Joback Calculated Property
Inp	[2524.00; 2524.00]
Inp	2524.00		NIST
Inp	2524.00		NIST
Tboil	619.45	K	Relay (1.0) Calculated Property
Tc	805.62	K	Relay (1.0) Calculated Property
Tfus	322.93	K	Relay (1.0) Calculated Property
Vc	1.352	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[504.22; 1197.90]	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			-1.30190e+01
Coefficient B			2.23712e+00
Coefficient C			-1.34020e-03
Coefficient D			3.14000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	504.22	J/mol×K	273.00	Calculated Property
Cp,gas	624.59	J/mol×K	353.78	Calculated Property
Cp,gas	731.82	J/mol×K	434.56	Calculated Property
Cp,gas	826.90	J/mol×K	515.33	Calculated Property
Cp,gas	910.83	J/mol×K	596.11	Calculated Property
Cp,gas	984.59	J/mol×K	676.89	Calculated Property
Cp,gas	1049.19	J/mol×K	757.67	Calculated Property
Cp,gas	1105.61	J/mol×K	838.44	Calculated Property
Cp,gas	1154.85	J/mol×K	919.22	Calculated Property
Cp,gas	1197.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018751; 0.0001832]	Pa×s	[407.67; 671.79]	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			-1.21950e+01
Coefficient B			2.41171e+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.			407.67
Temperature range, max.			671.79
η	0.0018751	Pa×s	407.67	Calculated Property
η	0.0012603	Pa×s	437.02	Calculated Property
η	0.0008906	Pa×s	466.36	Calculated Property
η	0.0006557	Pa×s	495.71	Calculated Property
η	0.0004996	Pa×s	525.06	Calculated Property
η	0.0003918	Pa×s	554.40	Calculated Property
η	0.0003148	Pa×s	583.75	Calculated Property
η	0.0002583	Pa×s	613.09	Calculated Property
η	0.0002158	Pa×s	642.44	Calculated Property
η	0.0001832	Pa×s	671.79	Calculated Property

Similar Compounds

Find more compounds similar to 1-Docosanol, formate.

Sources

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

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