Chemical Properties of (3-Chloro-4-cyclohexylmethoxy-phenyl)-propionic acid, methyl ester

InChI

InChI=1S/C17H23ClO3/c1-20-17(19)10-8-13-7-9-16(15(18)11-13)21-12-14-5-3-2-4-6-14/h7,9,11,14H,2-6,8,10,12H2,1H3

InChI Key

RTRDUUMGKSDSRB-UHFFFAOYSA-N

Formula

C17H23ClO3

SMILES

COC(=O)CCc1ccc(OCC2CCCCC2)c(Cl)c1

Molecular Weight¹

310.82

• 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°	-140.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-519.06	kJ/mol	Joback Calculated Property
ΔfusH°	33.06	kJ/mol	Joback Calculated Property
ΔvapH°	73.42	kJ/mol	Joback Calculated Property
log10WS	-4.94		Crippen Calculated Property
logPoct/wat	4.405		Crippen Calculated Property
McVol	241.320	ml/mol	McGowan Calculated Property
Pc	1807.70	kPa	Joback Calculated Property
Inp	[2322.60; 2322.60]
Inp	2322.60		NIST
Inp	2322.60		NIST
Tboil	780.69	K	Joback Calculated Property
Tc	1004.95	K	Joback Calculated Property
Tfus	464.50	K	Joback Calculated Property
Vc	0.903	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[707.39; 792.50]	J/mol×K	[780.69; 1004.95]
Cp,gas	707.39	J/mol×K	780.69	Joback Calculated Property
Cp,gas	724.96	J/mol×K	818.07	Joback Calculated Property
Cp,gas	741.15	J/mol×K	855.44	Joback Calculated Property
Cp,gas	755.98	J/mol×K	892.82	Joback Calculated Property
Cp,gas	769.47	J/mol×K	930.20	Joback Calculated Property
Cp,gas	781.63	J/mol×K	967.57	Joback Calculated Property
Cp,gas	792.50	J/mol×K	1004.95	Joback Calculated Property
η	[0.0000781; 0.0007724]	Pa×s	[464.50; 780.69]
η	0.0007724	Pa×s	464.50	Joback Calculated Property
η	0.0004340	Pa×s	517.20	Joback Calculated Property
η	0.0002713	Pa×s	569.90	Joback Calculated Property
η	0.0001836	Pa×s	622.60	Joback Calculated Property
η	0.0001321	Pa×s	675.29	Joback Calculated Property
η	0.0000997	Pa×s	727.99	Joback Calculated Property
η	0.0000781	Pa×s	780.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to (3-Chloro-4-cyclohexylmethoxy-phenyl)-propionic acid, methyl ester.

Sources

• 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.