Chemical Properties of 1-Docosanol, acetate

InChI

InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-24(2)25/h3-23H2,1-2H3

InChI Key

AWYRDXDPCQRJHE-UHFFFAOYSA-N

Formula

C24H48O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(C)=O

Molecular Weight¹

368.65

Other Names

• Docosyl acetate
• n-Docosyl acetate
• Acetic acid, docosyl ester
• Behenyl acetate
• Docosanol acetate
• Docosanyl acetate

• 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	1.1058		Relay (1.0) Calculated Property
ΔfG°	-159.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-866.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.28	kJ/mol	Joback Calculated Property
ΔvapH°	126.43	kJ/mol	Relay (1.0) Calculated Property
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-8.23		Relay (1.0) Calculated Property
logPoct/wat	8.371		Crippen Calculated Property
McVol	356.460	ml/mol	McGowan Calculated Property
Pc	808.45	kPa	Joback Calculated Property
Inp	[2594.00; 2617.00]
Inp	2611.00		NIST
Inp	2611.30		NIST
Inp	2609.00		NIST
Inp	2613.00		NIST
Inp	2617.00		NIST
Inp	Outlier 2594.00		NIST
Inp	2604.00		NIST
Inp	2611.00		NIST
Inp	2611.00		NIST
Tboil	620.39	K	Relay (1.0) Calculated Property
Tc	804.16	K	Relay (1.0) Calculated Property
Tfus	318.79	K	Relay (1.0) Calculated Property
Vc	1.413	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1146.31; 1259.48]	J/mol×K	[806.94; 988.03]
Cp,gas	1146.31	J/mol×K	806.94	Joback Calculated Property
Cp,gas	1167.98	J/mol×K	837.12	Joback Calculated Property
Cp,gas	1188.47	J/mol×K	867.30	Joback Calculated Property
Cp,gas	1207.83	J/mol×K	897.48	Joback Calculated Property
Cp,gas	1226.10	J/mol×K	927.66	Joback Calculated Property
Cp,gas	1243.30	J/mol×K	957.84	Joback Calculated Property
Cp,gas	1259.48	J/mol×K	988.03	Joback Calculated Property
η	[0.0000369; 0.0014701]	Pa×s	[402.57; 806.94]
η	0.0014701	Pa×s	402.57	Joback Calculated Property
η	0.0005122	Pa×s	469.97	Joback Calculated Property
η	0.0002325	Pa×s	537.36	Joback Calculated Property
η	0.0001258	Pa×s	604.75	Joback Calculated Property
η	0.0000770	Pa×s	672.15	Joback Calculated Property
η	0.0000516	Pa×s	739.55	Joback Calculated Property
η	0.0000369	Pa×s	806.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Docosanol, acetate.

Sources

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

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