Chemical Properties of Eicosanyl acetate (CAS 822-24-2)

InChI

InChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22(2)23/h3-21H2,1-2H3

InChI Key

JUCOQIYAKWHGSZ-UHFFFAOYSA-N

Formula

C22H44O2

SMILES

CCCCCCCCCCCCCCCCCCCCOC(C)=O

Molecular Weight¹

340.58

CAS

822-24-2

Other Names

• 1-Eicosanol acetate
• Eicosyl acetate
• eicosyl ethanoate

• 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).
• P_vap : Vapor 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	1.0357		Relay (1.0) Calculated Property
ΔfG°	-176.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-825.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.10	kJ/mol	Joback Calculated Property
ΔvapH°	117.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.84	eV	Relay (1.0) Calculated Property
log10WS	-7.65		Relay (1.0) Calculated Property
logPoct/wat	7.591		Crippen Calculated Property
McVol	328.280	ml/mol	McGowan Calculated Property
Pc	904.52	kPa	Joback Calculated Property
Inp	[2393.00; 2413.00]
Inp	2410.00		NIST
Inp	2409.10		NIST
Inp	2413.00		NIST
Inp	2393.00		NIST
Inp	2410.00		NIST
Inp	2393.00		NIST
Inp	2409.10		NIST
Tboil	607.55	K	Relay (1.0) Calculated Property
Tc	790.08	K	Relay (1.0) Calculated Property
Tfus	313.62	K	Relay (1.0) Calculated Property
Vc	1.301	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1020.89; 1129.90]	J/mol×K	[761.18; 934.44]
Cp,gas	1020.89	J/mol×K	761.18	Joback Calculated Property
Cp,gas	1041.55	J/mol×K	790.06	Joback Calculated Property
Cp,gas	1061.18	J/mol×K	818.93	Joback Calculated Property
Cp,gas	1079.80	J/mol×K	847.81	Joback Calculated Property
Cp,gas	1097.44	J/mol×K	876.68	Joback Calculated Property
Cp,gas	1114.13	J/mol×K	905.56	Joback Calculated Property
Cp,gas	1129.90	J/mol×K	934.44	Joback Calculated Property
η	[0.0000494; 0.0019055]	Pa×s	[380.03; 761.18]
η	0.0019055	Pa×s	380.03	Joback Calculated Property
η	0.0006705	Pa×s	443.56	Joback Calculated Property
η	0.0003065	Pa×s	507.08	Joback Calculated Property
η	0.0001668	Pa×s	570.61	Joback Calculated Property
η	0.0001025	Pa×s	634.13	Joback Calculated Property
η	0.0000689	Pa×s	697.65	Joback Calculated Property
η	0.0000494	Pa×s	761.18	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[577.72; 663.28]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			3.04923e+01
Coefficient B			-1.29537e+04
Coefficient C			-1.48858e+02
Temperature range, min.			577.72
Temperature range, max.			663.28
Pvap	1.33	kPa	577.72	Calculated Property
Pvap	2.57	kPa	587.23	Calculated Property
Pvap	4.81	kPa	596.73	Calculated Property
Pvap	8.77	kPa	606.24	Calculated Property
Pvap	15.61	kPa	615.75	Calculated Property
Pvap	27.15	kPa	625.25	Calculated Property
Pvap	46.22	kPa	634.76	Calculated Property
Pvap	77.08	kPa	644.27	Calculated Property
Pvap	126.12	kPa	653.77	Calculated Property
Pvap	202.62	kPa	663.28	Calculated Property

Similar Compounds

Find more compounds similar to Eicosanyl acetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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