Chemical Properties of Sebacic acid, 4-chloro-2-methylbenzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C25H39ClO4/c1-5-12-23(19(2)3)30-25(28)14-11-9-7-6-8-10-13-24(27)29-18-21-15-16-22(26)17-20(21)4/h15-17,19,23H,5-14,18H2,1-4H3

InChI Key

GOOZTEHCOAISLS-UHFFFAOYSA-N

Formula

C25H39ClO4

SMILES

CCCC(OC(=O)CCCCCCCCC(=O)OCc1ccc(Cl)cc1C)C(C)C

Molecular Weight¹

439.03

• 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°	-231.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-861.64	kJ/mol	Joback Calculated Property
ΔfusH°	56.49	kJ/mol	Joback Calculated Property
ΔvapH°	96.77	kJ/mol	Joback Calculated Property
log10WS	-8.22		Crippen Calculated Property
logPoct/wat	7.180		Crippen Calculated Property
McVol	366.470	ml/mol	McGowan Calculated Property
Pc	949.08	kPa	Joback Calculated Property
Inp	[3006.00; 3006.00]
Inp	3006.00		NIST
Inp	3006.00		NIST
Tboil	997.17	K	Joback Calculated Property
Tc	1220.82	K	Joback Calculated Property
Tfus	567.21	K	Joback Calculated Property
Vc	1.413	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1207.62; 1280.19]	J/mol×K	[997.17; 1220.82]
Cp,gas	1207.62	J/mol×K	997.17	Joback Calculated Property
Cp,gas	1223.46	J/mol×K	1034.45	Joback Calculated Property
Cp,gas	1237.73	J/mol×K	1071.72	Joback Calculated Property
Cp,gas	1250.50	J/mol×K	1109.00	Joback Calculated Property
Cp,gas	1261.81	J/mol×K	1146.27	Joback Calculated Property
Cp,gas	1271.69	J/mol×K	1183.55	Joback Calculated Property
Cp,gas	1280.19	J/mol×K	1220.82	Joback Calculated Property
η	[0.0000189; 0.0002873]	Pa×s	[567.21; 997.17]
η	0.0002873	Pa×s	567.21	Joback Calculated Property
η	0.0001416	Pa×s	638.87	Joback Calculated Property
η	0.0000805	Pa×s	710.53	Joback Calculated Property
η	0.0000507	Pa×s	782.19	Joback Calculated Property
η	0.0000346	Pa×s	853.85	Joback Calculated Property
η	0.0000250	Pa×s	925.51	Joback Calculated Property
η	0.0000189	Pa×s	997.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 4-chloro-2-methylbenzyl 2-methylhex-3-yl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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