Chemical Properties of Ethyl 20-hydroxy-3,6,9,12,15,18-hexaoxaicosan-1-oate

InChI

InChI=1S/C16H32O9/c1-2-25-16(18)15-24-14-13-23-12-11-22-10-9-21-8-7-20-6-5-19-4-3-17/h17H,2-15H2,1H3

InChI Key

ZNXSBGRKYILDKF-UHFFFAOYSA-N

Formula

C16H32O9

SMILES

CCOC(=O)COCCOCCOCCOCCOCCOCCO

Molecular Weight¹

368.42

• 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	1.2274		Relay (1.0) Calculated Property
ΔfG°	-993.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1594.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.78	kJ/mol	Joback Calculated Property
ΔvapH°	108.45	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	0.08		Relay (1.0) Calculated Property
logPoct/wat	-0.359		Crippen Calculated Property
McVol	284.830	ml/mol	McGowan Calculated Property
Pc	1313.70	kPa	Joback Calculated Property
Inp	[2649.90; 2649.90]
Inp	2649.90		NIST
Inp	2649.90		NIST
Tboil	675.36	K	Relay (1.0) Calculated Property
Tc	865.44	K	Relay (1.0) Calculated Property
Tfus	252.43	K	Relay (1.0) Calculated Property
Vc	1.088	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[466.17; 982.56]	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			1.72044e+02
Coefficient B			1.12382e+00
Coefficient C			-1.16400e-04
Coefficient D			-1.96900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	466.17	J/mol×K	273.00	Calculated Property
Cp,gas	546.34	J/mol×K	353.78	Calculated Property
Cp,gas	622.27	J/mol×K	434.56	Calculated Property
Cp,gas	693.33	J/mol×K	515.33	Calculated Property
Cp,gas	758.89	J/mol×K	596.11	Calculated Property
Cp,gas	818.35	J/mol×K	676.89	Calculated Property
Cp,gas	871.06	J/mol×K	757.67	Calculated Property
Cp,gas	916.42	J/mol×K	838.44	Calculated Property
Cp,gas	953.79	J/mol×K	919.22	Calculated Property
Cp,gas	982.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001310; 0.0000079]	Pa×s	[506.61; 729.29]	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			-1.81368e+01
Coefficient B			4.65885e+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.			506.61
Temperature range, max.			729.29
η	0.0001310	Pa×s	506.61	Calculated Property
η	0.0000853	Pa×s	531.35	Calculated Property
η	0.0000578	Pa×s	556.09	Calculated Property
η	0.0000404	Pa×s	580.84	Calculated Property
η	0.0000291	Pa×s	605.58	Calculated Property
η	0.0000215	Pa×s	630.32	Calculated Property
η	0.0000163	Pa×s	655.06	Calculated Property
η	0.0000126	Pa×s	679.81	Calculated Property
η	0.0000099	Pa×s	704.55	Calculated Property
η	0.0000079	Pa×s	729.29	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 20-hydroxy-3,6,9,12,15,18-hexaoxaicosan-1-oate.

Sources

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

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