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

InChI

InChI=1S/C22H42O5/c1-19(2)12-11-16-26-21(23)13-9-7-5-6-8-10-14-22(24)27-18-20(3)15-17-25-4/h19-20H,5-18H2,1-4H3

InChI Key

DOUKKXLHMOXFNX-UHFFFAOYSA-N

Formula

C22H42O5

SMILES

COCCC(C)COC(=O)CCCCCCCCC(=O)OCCCC(C)C

Molecular Weight¹

386.57

Other Names

• Sebacic acid, isohexyl 4-methoxy-2-methylphenyl ester

• 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).
• 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
ΔfG°	-443.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1129.79	kJ/mol	Joback Calculated Property
ΔfusH°	52.45	kJ/mol	Joback Calculated Property
ΔvapH°	84.51	kJ/mol	Joback Calculated Property
log10WS	-5.36		Crippen Calculated Property
logPoct/wat	5.302		Crippen Calculated Property
McVol	341.590	ml/mol	McGowan Calculated Property
Pc	953.19	kPa	Joback Calculated Property
Inp	[2618.00; 2618.00]
Inp	2618.00		NIST
Inp	2618.00		NIST
Tboil	876.88	K	Joback Calculated Property
Tc	1073.55	K	Joback Calculated Property
Tfus	474.25	K	Joback Calculated Property
Vc	1.321	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1125.01; 1218.30]	J/mol×K	[876.88; 1073.55]
Cp,gas	1125.01	J/mol×K	876.88	Joback Calculated Property
Cp,gas	1143.87	J/mol×K	909.66	Joback Calculated Property
Cp,gas	1161.39	J/mol×K	942.44	Joback Calculated Property
Cp,gas	1177.58	J/mol×K	975.22	Joback Calculated Property
Cp,gas	1192.45	J/mol×K	1008.00	Joback Calculated Property
Cp,gas	1206.02	J/mol×K	1040.78	Joback Calculated Property
Cp,gas	1218.30	J/mol×K	1073.55	Joback Calculated Property
η	[0.0000247; 0.0006124]	Pa×s	[474.25; 876.88]
η	0.0006124	Pa×s	474.25	Joback Calculated Property
η	0.0002574	Pa×s	541.36	Joback Calculated Property
η	0.0001310	Pa×s	608.46	Joback Calculated Property
η	0.0000762	Pa×s	675.57	Joback Calculated Property
η	0.0000489	Pa×s	742.67	Joback Calculated Property
η	0.0000338	Pa×s	809.78	Joback Calculated Property
η	0.0000247	Pa×s	876.88	Joback Calculated Property

Similar Compounds

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

Sources

• 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.