Chemical Properties of Sebacic acid, isobutyl 5-methoxy-3-methylpentyl ester

InChI

InChI=1S/C21H40O5/c1-18(2)17-26-21(23)12-10-8-6-5-7-9-11-20(22)25-16-14-19(3)13-15-24-4/h18-19H,5-17H2,1-4H3

InChI Key

SSUNGIINBJHCPC-UHFFFAOYSA-N

Formula

C21H40O5

SMILES

COCCC(C)CCOC(=O)CCCCCCCCC(=O)OCC(C)C

Molecular Weight¹

372.54

• 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	1.0409		Relay (1.0) Calculated Property
ΔfG°	-451.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1225.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.86	kJ/mol	Joback Calculated Property
ΔvapH°	98.71	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-4.36		Relay (1.0) Calculated Property
logPoct/wat	4.912		Crippen Calculated Property
McVol	327.500	ml/mol	McGowan Calculated Property
Pc	1012.30	kPa	Joback Calculated Property
Inp	[2518.00; 2518.00]
Inp	2518.00		NIST
Inp	2518.00		NIST
Tboil	629.34	K	Relay (1.0) Calculated Property
Tc	791.86	K	Relay (1.0) Calculated Property
Tfus	254.84	K	Relay (1.0) Calculated Property
Vc	1.233	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1063.08; 1155.54]	J/mol×K	[854.00; 1046.11]
Cp,gas	1063.08	J/mol×K	854.00	Joback Calculated Property
Cp,gas	1081.57	J/mol×K	886.02	Joback Calculated Property
Cp,gas	1098.82	J/mol×K	918.04	Joback Calculated Property
Cp,gas	1114.82	J/mol×K	950.06	Joback Calculated Property
Cp,gas	1129.61	J/mol×K	982.07	Joback Calculated Property
Cp,gas	1143.18	J/mol×K	1014.09	Joback Calculated Property
Cp,gas	1155.54	J/mol×K	1046.11	Joback Calculated Property
η	[0.0000288; 0.0006967]	Pa×s	[462.98; 854.00]
η	0.0006967	Pa×s	462.98	Joback Calculated Property
η	0.0002952	Pa×s	528.15	Joback Calculated Property
η	0.0001510	Pa×s	593.32	Joback Calculated Property
η	0.0000882	Pa×s	658.49	Joback Calculated Property
η	0.0000568	Pa×s	723.66	Joback Calculated Property
η	0.0000393	Pa×s	788.83	Joback Calculated Property
η	0.0000288	Pa×s	854.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, isobutyl 5-methoxy-3-methylpentyl ester.

Sources

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

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