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

InChI

InChI=1S/C25H48O5/c1-4-5-6-7-12-15-20-29-24(26)16-13-10-8-9-11-14-17-25(27)30-22-19-23(2)18-21-28-3/h23H,4-22H2,1-3H3

InChI Key

WBEFLJUIOHSEJN-UHFFFAOYSA-N

Formula

C25H48O5

SMILES

CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCC(C)CCOC

Molecular Weight¹

428.65

• 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	1.2053		Relay (1.0) Calculated Property
ΔfG°	-415.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-1290.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.74	kJ/mol	Joback Calculated Property
ΔvapH°	115.50	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-5.63		Relay (1.0) Calculated Property
logPoct/wat	6.617		Crippen Calculated Property
McVol	383.860	ml/mol	McGowan Calculated Property
Pc	800.24	kPa	Joback Calculated Property
Inp	[2968.00; 2968.00]
Inp	2968.00		NIST
Inp	2968.00		NIST
Tboil	657.95	K	Relay (1.0) Calculated Property
Tc	827.42	K	Relay (1.0) Calculated Property
Tfus	274.58	K	Relay (1.0) Calculated Property
Vc	1.454	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1313.62; 1409.59]	J/mol×K	[945.96; 1163.54]
Cp,gas	1313.62	J/mol×K	945.96	Joback Calculated Property
Cp,gas	1333.88	J/mol×K	982.22	Joback Calculated Property
Cp,gas	1352.40	J/mol×K	1018.49	Joback Calculated Property
Cp,gas	1369.21	J/mol×K	1054.75	Joback Calculated Property
Cp,gas	1384.32	J/mol×K	1091.02	Joback Calculated Property
Cp,gas	1397.77	J/mol×K	1127.28	Joback Calculated Property
Cp,gas	1409.59	J/mol×K	1163.54	Joback Calculated Property
η	[0.0000169; 0.0003553]	Pa×s	[523.06; 945.96]
η	0.0003553	Pa×s	523.06	Joback Calculated Property
η	0.0001583	Pa×s	593.54	Joback Calculated Property
η	0.0000837	Pa×s	664.03	Joback Calculated Property
η	0.0000501	Pa×s	734.51	Joback Calculated Property
η	0.0000327	Pa×s	804.99	Joback Calculated Property
η	0.0000229	Pa×s	875.48	Joback Calculated Property
η	0.0000169	Pa×s	945.96	Joback Calculated Property

Similar Compounds

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

Sources

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

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