Chemical Properties of methyl tetratriacontanoate

InChI

InChI=1S/C35H70O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35(36)37-2/h3-34H2,1-2H3

InChI Key

PZZXNYKEJMQEIS-UHFFFAOYSA-N

Formula

C35H70O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

Molecular Weight¹

522.93

• 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	1.4891		Relay (1.0) Calculated Property
ΔfG°	-66.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1077.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	90.78	kJ/mol	Joback Calculated Property
ΔvapH°	180.40	kJ/mol	Relay (1.0) Calculated Property
IE	10.36	eV	Relay (1.0) Calculated Property
log10WS	-11.34		Relay (1.0) Calculated Property
logPoct/wat	12.662		Crippen Calculated Property
McVol	511.450	ml/mol	McGowan Calculated Property
Pc	478.19	kPa	Joback Calculated Property
Inp	[3719.84; 3719.84]
Inp	3719.84		NIST
Inp	3719.84		NIST
Tboil	683.45	K	Relay (1.0) Calculated Property
Tc	873.43	K	Relay (1.0) Calculated Property
Tfus	343.07	K	Relay (1.0) Calculated Property
Vc	2.013	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[764.30; 1833.12]	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			-3.51800e+00
Coefficient B			3.27404e+00
Coefficient C			-1.78560e-03
Coefficient D			3.48200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	764.30	J/mol×K	273.00	Calculated Property
Cp,gas	946.70	J/mol×K	353.78	Calculated Property
Cp,gas	1110.62	J/mol×K	434.56	Calculated Property
Cp,gas	1257.16	J/mol×K	515.33	Calculated Property
Cp,gas	1387.42	J/mol×K	596.11	Calculated Property
Cp,gas	1502.51	J/mol×K	676.89	Calculated Property
Cp,gas	1603.52	J/mol×K	757.67	Calculated Property
Cp,gas	1691.56	J/mol×K	838.44	Calculated Property
Cp,gas	1767.73	J/mol×K	919.22	Calculated Property
Cp,gas	1833.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002958; 0.0000099]	Pa×s	[526.54; 953.26]	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			-1.57145e+01
Coefficient B			3.99576e+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.			526.54
Temperature range, max.			953.26
η	0.0002958	Pa×s	526.54	Calculated Property
η	0.0001580	Pa×s	573.95	Calculated Property
η	0.0000929	Pa×s	621.37	Calculated Property
η	0.0000589	Pa×s	668.78	Calculated Property
η	0.0000397	Pa×s	716.20	Calculated Property
η	0.0000280	Pa×s	763.61	Calculated Property
η	0.0000207	Pa×s	811.02	Calculated Property
η	0.0000157	Pa×s	858.44	Calculated Property
η	0.0000123	Pa×s	905.85	Calculated Property
η	0.0000099	Pa×s	953.26	Calculated Property

Similar Compounds

Find more compounds similar to methyl tetratriacontanoate.

Sources

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

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