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

InChI

InChI=1S/C25H41ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-29-25(27)16-15-20-28-24-18-17-23(26)21-22(24)2/h17-18,21H,3-16,19-20H2,1-2H3

InChI Key

QHNPDYQMPIWYKA-UHFFFAOYSA-N

Formula

C25H41ClO3

SMILES

CCCCCCCCCCCCCCOC(=O)CCCOc1ccc(Cl)cc1C

Molecular Weight¹

425.04

• 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	1.1483		Relay (1.0) Calculated Property
ΔfG°	-98.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-827.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.94	kJ/mol	Joback Calculated Property
ΔvapH°	124.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-7.75		Relay (1.0) Calculated Property
logPoct/wat	8.052		Crippen Calculated Property
McVol	364.900	ml/mol	McGowan Calculated Property
Pc	904.52	kPa	Joback Calculated Property
Inp	[1721.00; 1721.00]
Inp	1721.00		NIST
Inp	1721.00		NIST
Tboil	680.64	K	Relay (1.0) Calculated Property
Tc	879.04	K	Relay (1.0) Calculated Property
Tfus	315.95	K	Relay (1.0) Calculated Property
Vc	1.378	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1191.11; 1278.26]	J/mol×K	[944.18; 1155.95]
Cp,gas	1191.11	J/mol×K	944.18	Joback Calculated Property
Cp,gas	1209.02	J/mol×K	979.47	Joback Calculated Property
Cp,gas	1225.52	J/mol×K	1014.77	Joback Calculated Property
Cp,gas	1240.66	J/mol×K	1050.06	Joback Calculated Property
Cp,gas	1254.47	J/mol×K	1085.36	Joback Calculated Property
Cp,gas	1266.99	J/mol×K	1120.65	Joback Calculated Property
Cp,gas	1278.26	J/mol×K	1155.95	Joback Calculated Property
η	[0.0000242; 0.0002956]	Pa×s	[547.28; 944.18]
η	0.0002956	Pa×s	547.28	Joback Calculated Property
η	0.0001556	Pa×s	613.43	Joback Calculated Property
η	0.0000928	Pa×s	679.58	Joback Calculated Property
η	0.0000607	Pa×s	745.73	Joback Calculated Property
η	0.0000425	Pa×s	811.88	Joback Calculated Property
η	0.0000314	Pa×s	878.03	Joback Calculated Property
η	0.0000242	Pa×s	944.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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