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

InChI

InChI=1S/C21H40O5/c1-4-5-16-25-20(22)12-10-8-6-7-9-11-13-21(23)26-18-15-19(2)14-17-24-3/h19H,4-18H2,1-3H3

InChI Key

VVVRUCMJQKTYSF-UHFFFAOYSA-N

Formula

C21H40O5

SMILES

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

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	1.0658		Relay (1.0) Calculated Property
ΔfG°	-449.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-1212.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.38	kJ/mol	Joback Calculated Property
ΔvapH°	102.16	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-4.39		Relay (1.0) Calculated Property
logPoct/wat	5.056		Crippen Calculated Property
McVol	327.500	ml/mol	McGowan Calculated Property
Pc	1007.17	kPa	Joback Calculated Property
Inp	[2563.00; 2563.00]
Inp	2563.00		NIST
Inp	2563.00		NIST
Tboil	630.38	K	Relay (1.0) Calculated Property
Tc	796.56	K	Relay (1.0) Calculated Property
Tfus	251.74	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	[1062.62; 1155.19]	J/mol×K	[854.44; 1046.32]
Cp,gas	1062.62	J/mol×K	854.44	Joback Calculated Property
Cp,gas	1081.09	J/mol×K	886.42	Joback Calculated Property
Cp,gas	1098.34	J/mol×K	918.40	Joback Calculated Property
Cp,gas	1114.36	J/mol×K	950.38	Joback Calculated Property
Cp,gas	1129.16	J/mol×K	982.36	Joback Calculated Property
Cp,gas	1142.77	J/mol×K	1014.34	Joback Calculated Property
Cp,gas	1155.19	J/mol×K	1046.32	Joback Calculated Property
η	[0.0000314; 0.0005916]	Pa×s	[477.98; 854.44]
η	0.0005916	Pa×s	477.98	Joback Calculated Property
η	0.0002731	Pa×s	540.72	Joback Calculated Property
η	0.0001480	Pa×s	603.47	Joback Calculated Property
η	0.0000901	Pa×s	666.21	Joback Calculated Property
η	0.0000597	Pa×s	728.95	Joback Calculated Property
η	0.0000422	Pa×s	791.70	Joback Calculated Property
η	0.0000314	Pa×s	854.44	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.