Chemical Properties of Sebacic acid, butyl 2-(2-methoxyethyl)heptyl ester

InChI

InChI=1S/C24H46O5/c1-4-6-12-15-22(18-20-27-3)21-29-24(26)17-14-11-9-8-10-13-16-23(25)28-19-7-5-2/h22H,4-21H2,1-3H3

InChI Key

KBVYTTILAOWHEC-UHFFFAOYSA-N

Formula

C24H46O5

SMILES

CCCCCC(CCOC)COC(=O)CCCCCCCCC(=O)OCCCC

Molecular Weight¹

414.62

• 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	1.1555		Relay (1.0) Calculated Property
ΔfG°	-424.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1266.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.16	kJ/mol	Joback Calculated Property
ΔvapH°	111.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-5.32		Relay (1.0) Calculated Property
logPoct/wat	6.227		Crippen Calculated Property
McVol	369.770	ml/mol	McGowan Calculated Property
Pc	845.54	kPa	Joback Calculated Property
Inp	[2803.00; 2803.00]
Inp	2803.00		NIST
Inp	2803.00		NIST
Tboil	654.45	K	Relay (1.0) Calculated Property
Tc	819.68	K	Relay (1.0) Calculated Property
Tfus	248.63	K	Relay (1.0) Calculated Property
Vc	1.388	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1250.13; 1345.43]	J/mol×K	[923.08; 1132.65]
Cp,gas	1250.13	J/mol×K	923.08	Joback Calculated Property
Cp,gas	1269.91	J/mol×K	958.01	Joback Calculated Property
Cp,gas	1288.10	J/mol×K	992.94	Joback Calculated Property
Cp,gas	1304.72	J/mol×K	1027.86	Joback Calculated Property
Cp,gas	1319.81	J/mol×K	1062.79	Joback Calculated Property
Cp,gas	1333.37	J/mol×K	1097.72	Joback Calculated Property
Cp,gas	1345.43	J/mol×K	1132.65	Joback Calculated Property
η	[0.0000198; 0.0004053]	Pa×s	[511.79; 923.08]
η	0.0004053	Pa×s	511.79	Joback Calculated Property
η	0.0001821	Pa×s	580.34	Joback Calculated Property
η	0.0000969	Pa×s	648.89	Joback Calculated Property
η	0.0000582	Pa×s	717.43	Joback Calculated Property
η	0.0000382	Pa×s	785.98	Joback Calculated Property
η	0.0000268	Pa×s	854.53	Joback Calculated Property
η	0.0000198	Pa×s	923.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, butyl 2-(2-methoxyethyl)heptyl ester.

Sources

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

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