Chemical Properties of 4-(4-Chloro-2-methylphenoxy)butyric acid, hexadecyl ester

InChI

InChI=1S/C27H45ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31-27(29)18-17-22-30-26-20-19-25(28)23-24(26)2/h19-20,23H,3-18,21-22H2,1-2H3

InChI Key

ABLFLNJSKJOBCU-UHFFFAOYSA-N

Formula

C27H45ClO3

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCOc1ccc(Cl)cc1C

Molecular Weight¹

453.10

• 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°	-81.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-779.78	kJ/mol	Joback Calculated Property
ΔfusH°	67.12	kJ/mol	Joback Calculated Property
ΔvapH°	95.25	kJ/mol	Joback Calculated Property
log10WS	-9.57		Crippen Calculated Property
logPoct/wat	8.832		Crippen Calculated Property
McVol	393.080	ml/mol	McGowan Calculated Property
Pc	808.45	kPa	Joback Calculated Property
Inp	[1810.00; 1810.00]
Inp	1810.00		NIST
Inp	1810.00		NIST
Tboil	989.94	K	Joback Calculated Property
Tc	1213.84	K	Joback Calculated Property
Tfus	569.82	K	Joback Calculated Property
Vc	1.530	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1316.80; 1405.23]	J/mol×K	[989.94; 1213.84]
Cp,gas	1316.80	J/mol×K	989.94	Joback Calculated Property
Cp,gas	1335.38	J/mol×K	1027.26	Joback Calculated Property
Cp,gas	1352.36	J/mol×K	1064.57	Joback Calculated Property
Cp,gas	1367.77	J/mol×K	1101.89	Joback Calculated Property
Cp,gas	1381.69	J/mol×K	1139.20	Joback Calculated Property
Cp,gas	1394.15	J/mol×K	1176.52	Joback Calculated Property
Cp,gas	1405.23	J/mol×K	1213.84	Joback Calculated Property
η	[0.0000179; 0.0002328]	Pa×s	[569.82; 989.94]
η	0.0002328	Pa×s	569.82	Joback Calculated Property
η	0.0001201	Pa×s	639.84	Joback Calculated Property
η	0.0000706	Pa×s	709.86	Joback Calculated Property
η	0.0000457	Pa×s	779.88	Joback Calculated Property
η	0.0000317	Pa×s	849.90	Joback Calculated Property
η	0.0000233	Pa×s	919.92	Joback Calculated Property
η	0.0000179	Pa×s	989.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, hexadecyl ester.

Sources

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

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