Chemical Properties of Ethyl henicosanoate (CAS 28898-67-1)

InChI

InChI=1S/C23H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-4-2/h3-22H2,1-2H3

InChI Key

BKTDTEKUOZFAMW-UHFFFAOYSA-N

Formula

C23H46O2

SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)OCC

Molecular Weight¹

354.61

CAS

28898-67-1

• 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	1.0673		Relay (1.0) Calculated Property
ΔfG°	-167.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-842.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.69	kJ/mol	Joback Calculated Property
ΔvapH°	118.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.85	eV	Relay (1.0) Calculated Property
log10WS	-7.92		Relay (1.0) Calculated Property
logPoct/wat	7.981		Crippen Calculated Property
McVol	342.370	ml/mol	McGowan Calculated Property
Pc	854.46	kPa	Joback Calculated Property
Inp	[2492.10; 2492.10]
Inp	2492.10		NIST
Inp	2492.10		NIST
Tboil	611.26	K	Relay (1.0) Calculated Property
Tc	797.93	K	Relay (1.0) Calculated Property
Tfus	314.42	K	Relay (1.0) Calculated Property
Vc	1.355	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[509.74; 1214.03]	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			7.39000e+00
Coefficient B			2.13404e+00
Coefficient C			-1.13280e-03
Coefficient D			2.05400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	509.74	J/mol×K	273.00	Calculated Property
Cp,gas	629.68	J/mol×K	353.78	Calculated Property
Cp,gas	737.69	J/mol×K	434.56	Calculated Property
Cp,gas	834.41	J/mol×K	515.33	Calculated Property
Cp,gas	920.49	J/mol×K	596.11	Calculated Property
Cp,gas	996.58	J/mol×K	676.89	Calculated Property
Cp,gas	1063.32	J/mol×K	757.67	Calculated Property
Cp,gas	1121.38	J/mol×K	838.44	Calculated Property
Cp,gas	1171.40	J/mol×K	919.22	Calculated Property
Cp,gas	1214.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016765; 0.0000784]	Pa×s	[391.30; 672.59]	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			-1.37150e+01
Coefficient B			2.86584e+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.			391.30
Temperature range, max.			672.59
η	0.0016765	Pa×s	391.30	Calculated Property
η	0.0009753	Pa×s	422.55	Calculated Property
η	0.0006113	Pa×s	453.81	Calculated Property
η	0.0004070	Pa×s	485.06	Calculated Property
η	0.0002846	Pa×s	516.32	Calculated Property
η	0.0002073	Pa×s	547.57	Calculated Property
η	0.0001563	Pa×s	578.83	Calculated Property
η	0.0001213	Pa×s	610.08	Calculated Property
η	0.0000965	Pa×s	641.34	Calculated Property
η	0.0000784	Pa×s	672.59	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl henicosanoate.

Sources

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

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