Chemical Properties of Ethyl 3-hydroxytetracosanoate (CAS 57402-37-6)

InChI

InChI=1S/C26H52O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(27)24-26(28)29-4-2/h25,27H,3-24H2,1-2H3

InChI Key

WMKVMTYMEYVFEN-UHFFFAOYSA-N

Formula

C26H52O3

SMILES

CCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)OCC

Molecular Weight¹

412.69

CAS

57402-37-6

• 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	1.3138		Relay (1.0) Calculated Property
ΔfG°	-281.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1075.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.03	kJ/mol	Joback Calculated Property
ΔvapH°	142.71	kJ/mol	Relay (1.0) Calculated Property
IE	10.14	eV	Relay (1.0) Calculated Property
log10WS	-7.66		Relay (1.0) Calculated Property
logPoct/wat	8.122		Crippen Calculated Property
McVol	390.510	ml/mol	McGowan Calculated Property
Pc	767.76	kPa	Joback Calculated Property
Inp	[2956.60; 2956.60]
Inp	2956.60		NIST
Inp	2956.60		NIST
Tboil	651.64	K	Relay (1.0) Calculated Property
Tc	848.75	K	Relay (1.0) Calculated Property
Tfus	342.05	K	Relay (1.0) Calculated Property
Vc	1.520	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[585.56; 1388.01]	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			8.27200e+00
Coefficient B			2.45894e+00
Coefficient C			-1.32960e-03
Coefficient D			2.50400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	585.56	J/mol×K	273.00	Calculated Property
Cp,gas	722.87	J/mol×K	353.78	Calculated Property
Cp,gas	846.29	J/mol×K	434.56	Calculated Property
Cp,gas	956.61	J/mol×K	515.33	Calculated Property
Cp,gas	1054.64	J/mol×K	596.11	Calculated Property
Cp,gas	1141.16	J/mol×K	676.89	Calculated Property
Cp,gas	1216.97	J/mol×K	757.67	Calculated Property
Cp,gas	1282.85	J/mol×K	838.44	Calculated Property
Cp,gas	1339.60	J/mol×K	919.22	Calculated Property
Cp,gas	1388.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006027; 0.0000072]	Pa×s	[470.93; 819.43]	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			-1.78313e+01
Coefficient B			4.90573e+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.			470.93
Temperature range, max.			819.43
η	0.0006027	Pa×s	470.93	Calculated Property
η	0.0002731	Pa×s	509.65	Calculated Property
η	0.0001384	Pa×s	548.38	Calculated Property
η	0.0000767	Pa×s	587.10	Calculated Property
η	0.0000457	Pa×s	625.82	Calculated Property
η	0.0000290	Pa×s	664.54	Calculated Property
η	0.0000193	Pa×s	703.27	Calculated Property
η	0.0000134	Pa×s	741.99	Calculated Property
η	0.0000097	Pa×s	780.71	Calculated Property
η	0.0000072	Pa×s	819.43	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 3-hydroxytetracosanoate.

Sources

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

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