Chemical Properties of Octacosanoic acid, methyl ester (CAS 55682-92-3)

InChI

InChI=1S/C29H58O2/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)31-2/h3-28H2,1-2H3

InChI Key

ZKHOYAKAFALNQD-UHFFFAOYSA-N

Formula

C29H58O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

Molecular Weight¹

438.77

CAS

55682-92-3

Other Names

• Methyl octacosanoate
• Montanic acid, methyl ester

• 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_fusH : Enthalpy of fusion at a given temperature (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	1.2788		Relay (1.0) Calculated Property
ΔfG°	-117.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-953.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	75.24	kJ/mol	Joback Calculated Property
ΔvapH°	157.50 ± 4.50	kJ/mol	NIST
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-9.70		Relay (1.0) Calculated Property
logPoct/wat	10.322		Crippen Calculated Property
McVol	426.910	ml/mol	McGowan Calculated Property
Pc	625.94	kPa	Joback Calculated Property
Inp	[3108.00; 3144.00]
Inp	3115.00		NIST
Inp	3125.00		NIST
Inp	3140.70		NIST
Inp	3144.00		NIST
Inp	3116.12		NIST
Inp	3112.00		NIST
Inp	3108.00		NIST
Inp	3140.70		NIST
Inp	3112.00		NIST
Inp	3115.00		NIST
Tboil	646.26	K	Relay (1.0) Calculated Property
Tc	839.37	K	Relay (1.0) Calculated Property
Tfus	332.95	K	Relay (1.0) Calculated Property
Vc	1.684	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1471.09; 1597.38]	J/mol×K	[921.34; 1138.09]
Cp,gas	1471.09	J/mol×K	921.34	Joback Calculated Property
Cp,gas	1496.21	J/mol×K	957.47	Joback Calculated Property
Cp,gas	1519.60	J/mol×K	993.59	Joback Calculated Property
Cp,gas	1541.33	J/mol×K	1029.72	Joback Calculated Property
Cp,gas	1561.49	J/mol×K	1065.84	Joback Calculated Property
Cp,gas	1580.15	J/mol×K	1101.97	Joback Calculated Property
Cp,gas	1597.38	J/mol×K	1138.09	Joback Calculated Property
η	[0.0000172; 0.0007317]	Pa×s	[458.92; 921.34]
η	0.0007317	Pa×s	458.92	Joback Calculated Property
η	0.0002497	Pa×s	535.99	Joback Calculated Property
η	0.0001117	Pa×s	613.06	Joback Calculated Property
η	0.0000598	Pa×s	690.13	Joback Calculated Property
η	0.0000363	Pa×s	767.20	Joback Calculated Property
η	0.0000241	Pa×s	844.27	Joback Calculated Property
η	0.0000172	Pa×s	921.34	Joback Calculated Property
ΔfusH	109.70	kJ/mol	340.20	NIST

Similar Compounds

Find more compounds similar to Octacosanoic acid, methyl ester.

Sources

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

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