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

• 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	1.0759		Relay (1.0) Calculated Property
ΔfG°	-443.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1256.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.45	kJ/mol	Joback Calculated Property
ΔvapH°	101.97	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-4.66		Relay (1.0) 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	638.13	K	Relay (1.0) Calculated Property
Tc	800.63	K	Relay (1.0) Calculated Property
Tfus	254.40	K	Relay (1.0) Calculated Property
Vc	1.288	m3/kmol	Relay (1.0) 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

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

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