Chemical Properties of 3-Methylbutan-2-yl 3-chlorobenzoate

InChI

InChI=1S/C12H15ClO2/c1-8(2)9(3)15-12(14)10-5-4-6-11(13)7-10/h4-9H,1-3H3

InChI Key

UJFYEUKAHUQXLE-UHFFFAOYSA-N

Formula

C12H15ClO2

SMILES

CC(C)C(C)OC(=O)c1cccc(Cl)c1

Molecular Weight¹

226.70

Other Names

• Benzoic acid, 3-chloro, 1,2-dimethylpropyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-416.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.01	kJ/mol	Joback Calculated Property
ΔvapH°	71.65	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-4.20		Relay (1.0) Calculated Property
logPoct/wat	3.541		Crippen Calculated Property
McVol	175.860	ml/mol	McGowan Calculated Property
Pc	2333.78	kPa	Joback Calculated Property
Inp	[1512.00; 1551.00]
Inp	1514.00		NIST
Inp	1523.00		NIST
Inp	1531.00		NIST
Inp	1551.00		NIST
Inp	1527.00		NIST
Inp	1512.00		NIST
Inp	1521.00		NIST
Inp	1514.00		NIST
Inp	1551.00		NIST
I	[1988.00; 2023.00]
I	1988.00		NIST
I	2007.00		NIST
I	2023.00		NIST
I	2023.00		NIST
I	1989.00		NIST
I	2010.00		NIST
I	2023.00		NIST
I	1988.00		NIST
Tboil	540.43	K	Relay (1.0) Calculated Property
Tc	748.93	K	Relay (1.0) Calculated Property
Tfus	279.98	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[417.94; 494.12]	J/mol×K	[600.59; 818.01]
Cp,gas	417.94	J/mol×K	600.59	Joback Calculated Property
Cp,gas	432.96	J/mol×K	636.83	Joback Calculated Property
Cp,gas	447.03	J/mol×K	673.06	Joback Calculated Property
Cp,gas	460.15	J/mol×K	709.30	Joback Calculated Property
Cp,gas	472.36	J/mol×K	745.54	Joback Calculated Property
Cp,gas	483.67	J/mol×K	781.77	Joback Calculated Property
Cp,gas	494.12	J/mol×K	818.01	Joback Calculated Property
η	[0.0001368; 0.0036974]	Pa×s	[306.19; 600.59]
η	0.0036974	Pa×s	306.19	Joback Calculated Property
η	0.0014605	Pa×s	355.26	Joback Calculated Property
η	0.0007228	Pa×s	404.32	Joback Calculated Property
η	0.0004165	Pa×s	453.39	Joback Calculated Property
η	0.0002673	Pa×s	502.46	Joback Calculated Property
η	0.0001856	Pa×s	551.52	Joback Calculated Property
η	0.0001368	Pa×s	600.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylbutan-2-yl 3-chlorobenzoate.

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.
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