Chemical Properties of ethyl tetratriacontanoate

InChI

InChI=1S/C36H72O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38-4-2/h3-35H2,1-2H3

InChI Key

STPOMPUJYDSTAU-UHFFFAOYSA-N

Formula

C36H72O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC

Molecular Weight¹

536.96

• 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	1.5229		Relay (1.0) Calculated Property
ΔfG°	-58.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1110.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	93.37	kJ/mol	Joback Calculated Property
ΔvapH°	176.99	kJ/mol	Relay (1.0) Calculated Property
IE	10.29	eV	Relay (1.0) Calculated Property
log10WS	-11.52		Relay (1.0) Calculated Property
logPoct/wat	13.053		Crippen Calculated Property
McVol	525.540	ml/mol	McGowan Calculated Property
Pc	458.72	kPa	Joback Calculated Property
Inp	[3782.63; 3782.63]
Inp	3782.63		NIST
Inp	3782.63		NIST
Tboil	692.55	K	Relay (1.0) Calculated Property
Tc	876.85	K	Relay (1.0) Calculated Property
Tfus	339.98	K	Relay (1.0) Calculated Property
Vc	2.070	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[785.51; 1884.71]	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			-4.42700e+00
Coefficient B			3.36904e+00
Coefficient C			-1.84000e-03
Coefficient D			3.60100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	785.51	J/mol×K	273.00	Calculated Property
Cp,gas	973.12	J/mol×K	353.78	Calculated Property
Cp,gas	1141.70	J/mol×K	434.56	Calculated Property
Cp,gas	1292.39	J/mol×K	515.33	Calculated Property
Cp,gas	1426.33	J/mol×K	596.11	Calculated Property
Cp,gas	1544.67	J/mol×K	676.89	Calculated Property
Cp,gas	1648.54	J/mol×K	757.67	Calculated Property
Cp,gas	1739.08	J/mol×K	838.44	Calculated Property
Cp,gas	1817.42	J/mol×K	919.22	Calculated Property
Cp,gas	1884.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002530; 0.0000080]	Pa×s	[537.81; 983.82]	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			-1.58871e+01
Coefficient B			4.08992e+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.			537.81
Temperature range, max.			983.82
η	0.0002530	Pa×s	537.81	Calculated Property
η	0.0001332	Pa×s	587.37	Calculated Property
η	0.0000775	Pa×s	636.92	Calculated Property
η	0.0000487	Pa×s	686.48	Calculated Property
η	0.0000326	Pa×s	736.04	Calculated Property
η	0.0000230	Pa×s	785.59	Calculated Property
η	0.0000169	Pa×s	835.15	Calculated Property
η	0.0000128	Pa×s	884.71	Calculated Property
η	0.0000100	Pa×s	934.26	Calculated Property
η	0.0000080	Pa×s	983.82	Calculated Property

Similar Compounds

Find more compounds similar to ethyl tetratriacontanoate.

Sources

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

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