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

InChI

InChI=1S/C21H33ClO3/c1-3-4-5-6-7-8-9-10-15-25-21(23)12-11-16-24-20-14-13-19(22)17-18(20)2/h13-14,17H,3-12,15-16H2,1-2H3

InChI Key

NYSMPKZWYRLOIP-UHFFFAOYSA-N

Formula

C21H33ClO3

SMILES

CCCCCCCCCCOC(=O)CCCOc1ccc(Cl)cc1C

Molecular Weight¹

368.94

• 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	1.0050		Relay (... Calculated Property
ΔfG°	-131.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-742.95	kJ/mol	Relay (... Calculated Property
ΔfusH°	51.58	kJ/mol	Joback Calculated Property
ΔvapH°	108.30	kJ/mol	Relay (... Calculated Property
IE	8.25	eV	Relay (... Calculated Property
log10WS	-6.63		Relay (... Calculated Property
logPoct/wat	6.491		Crippen Calculated Property
McVol	308.540	ml/mol	McGowan Calculated Property
Pc	1156.14	kPa	Joback Calculated Property
Inp	[3216.00; 3216.00]
Inp	3216.00		NIST
Inp	3216.00		NIST
Tboil	653.71	K	Relay (... Calculated Property
Tc	850.81	K	Relay (... Calculated Property
Tfus	304.72	K	Relay (... Calculated Property
Vc	1.159	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[946.13; 1030.63]	J/mol×K	[852.66; 1051.71]
Cp,gas	946.13	J/mol×K	852.66	Joback Calculated Property
Cp,gas	962.98	J/mol×K	885.83	Joback Calculated Property
Cp,gas	978.69	J/mol×K	919.01	Joback Calculated Property
Cp,gas	993.29	J/mol×K	952.18	Joback Calculated Property
Cp,gas	1006.80	J/mol×K	985.36	Joback Calculated Property
Cp,gas	1019.24	J/mol×K	1018.53	Joback Calculated Property
Cp,gas	1030.63	J/mol×K	1051.71	Joback Calculated Property
η	[0.0000434; 0.0004584]	Pa×s	[502.20; 852.66]
η	0.0004584	Pa×s	502.20	Joback Calculated Property
η	0.0002522	Pa×s	560.61	Joback Calculated Property
η	0.0001553	Pa×s	619.02	Joback Calculated Property
η	0.0001040	Pa×s	677.43	Joback Calculated Property
η	0.0000742	Pa×s	735.84	Joback Calculated Property
η	0.0000556	Pa×s	794.25	Joback Calculated Property
η	0.0000434	Pa×s	852.66	Joback Calculated Property

Similar Compounds

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