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

InChI

InChI=1S/C29H49ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-33-29(31)20-19-24-32-28-22-21-27(30)25-26(28)2/h21-22,25H,3-20,23-24H2,1-2H3

InChI Key

LTWFHUCTTCKZOK-UHFFFAOYSA-N

Formula

C29H49ClO3

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCOc1ccc(Cl)cc1C

Molecular Weight¹

481.15

• 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	1.2898		Relay (1.0) Calculated Property
ΔfG°	-64.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-910.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.30	kJ/mol	Joback Calculated Property
ΔvapH°	140.58	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-8.85		Relay (1.0) Calculated Property
logPoct/wat	9.612		Crippen Calculated Property
McVol	421.260	ml/mol	McGowan Calculated Property
Pc	726.92	kPa	Joback Calculated Property
Inp	[1962.00; 1962.00]
Inp	1962.00		NIST
Inp	1962.00		NIST
Tboil	706.25	K	Relay (1.0) Calculated Property
Tc	904.74	K	Relay (1.0) Calculated Property
Tfus	325.06	K	Relay (1.0) Calculated Property
Vc	1.596	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1444.06; 1533.75]	J/mol×K	[1035.70; 1276.38]
Cp,gas	1444.06	J/mol×K	1035.70	Joback Calculated Property
Cp,gas	1463.46	J/mol×K	1075.81	Joback Calculated Property
Cp,gas	1480.97	J/mol×K	1115.93	Joback Calculated Property
Cp,gas	1496.68	J/mol×K	1156.04	Joback Calculated Property
Cp,gas	1510.66	J/mol×K	1196.16	Joback Calculated Property
Cp,gas	1522.99	J/mol×K	1236.27	Joback Calculated Property
Cp,gas	1533.75	J/mol×K	1276.38	Joback Calculated Property
η	[0.0000131; 0.0001813]	Pa×s	[592.36; 1035.70]
η	0.0001813	Pa×s	592.36	Joback Calculated Property
η	0.0000918	Pa×s	666.25	Joback Calculated Property
η	0.0000533	Pa×s	740.14	Joback Calculated Property
η	0.0000341	Pa×s	814.03	Joback Calculated Property
η	0.0000235	Pa×s	887.92	Joback Calculated Property
η	0.0000172	Pa×s	961.81	Joback Calculated Property
η	0.0000131	Pa×s	1035.70	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.