Chemical Properties of Sebacic acid, 4-methoxy-2-methylbutyl tridecyl ester

InChI

InChI=1S/C29H56O5/c1-4-5-6-7-8-9-10-11-14-17-20-24-33-28(30)21-18-15-12-13-16-19-22-29(31)34-26-27(2)23-25-32-3/h27H,4-26H2,1-3H3

InChI Key

DXNHWTINGRNRTG-UHFFFAOYSA-N

Formula

C29H56O5

SMILES

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

Molecular Weight¹

484.75

Other Names

• Sebacic acid, 4-methoxy-2-methylphenyl tridecyl 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_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	1.3514		Relay (1.0) Calculated Property
ΔfG°	-381.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1372.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	74.10	kJ/mol	Joback Calculated Property
ΔvapH°	130.47	kJ/mol	Relay (1.0) Calculated Property
IE	9.56	eV	Relay (1.0) Calculated Property
log10WS	-6.94		Relay (1.0) Calculated Property
logPoct/wat	8.177		Crippen Calculated Property
McVol	440.220	ml/mol	McGowan Calculated Property
Pc	651.10	kPa	Joback Calculated Property
Inp	[3353.00; 3353.00]
Inp	3353.00		NIST
Inp	3353.00		NIST
Tboil	685.12	K	Relay (1.0) Calculated Property
Tc	851.51	K	Relay (1.0) Calculated Property
Tfus	286.83	K	Relay (1.0) Calculated Property
Vc	1.682	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1570.96; 1667.22]	J/mol×K	[1037.48; 1300.17]
Cp,gas	1570.96	J/mol×K	1037.48	Joback Calculated Property
Cp,gas	1593.43	J/mol×K	1081.26	Joback Calculated Property
Cp,gas	1613.23	J/mol×K	1125.04	Joback Calculated Property
Cp,gas	1630.43	J/mol×K	1168.83	Joback Calculated Property
Cp,gas	1645.12	J/mol×K	1212.61	Joback Calculated Property
Cp,gas	1657.35	J/mol×K	1256.39	Joback Calculated Property
Cp,gas	1667.22	J/mol×K	1300.17	Joback Calculated Property
η	[0.0000089; 0.0002050]	Pa×s	[568.14; 1037.48]
η	0.0002050	Pa×s	568.14	Joback Calculated Property
η	0.0000886	Pa×s	646.36	Joback Calculated Property
η	0.0000459	Pa×s	724.59	Joback Calculated Property
η	0.0000270	Pa×s	802.81	Joback Calculated Property
η	0.0000175	Pa×s	881.03	Joback Calculated Property
η	0.0000121	Pa×s	959.26	Joback Calculated Property
η	0.0000089	Pa×s	1037.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 4-methoxy-2-methylbutyl tridecyl ester.

Sources

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

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