Chemical Properties of 1-tert-Butoxypropan-2-yl 2-chlorobenzoate

InChI

InChI=1S/C14H19ClO3/c1-10(9-17-14(2,3)4)18-13(16)11-7-5-6-8-12(11)15/h5-8,10H,9H2,1-4H3

InChI Key

MCQGMGYMJDUQAH-UHFFFAOYSA-N

Formula

C14H19ClO3

SMILES

CC(COC(C)(C)C)OC(=O)c1ccccc1Cl

Molecular Weight¹

270.76

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.90	kJ/mol	Joback Calculated Property
log10WS	-3.55		Relay (1.0) Calculated Property
logPoct/wat	3.700		Crippen Calculated Property
McVol	209.910	ml/mol	McGowan Calculated Property
Inp	[1742.00; 1742.00]
Inp	1742.00		NIST
Inp	1742.00		NIST
Tboil	569.38	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[552.88; 631.53]	J/mol×K	[683.85; 901.09]
Cp,gas	552.88	J/mol×K	683.85	Joback Calculated Property
Cp,gas	568.51	J/mol×K	720.06	Joback Calculated Property
Cp,gas	583.09	J/mol×K	756.26	Joback Calculated Property
Cp,gas	596.65	J/mol×K	792.47	Joback Calculated Property
Cp,gas	609.22	J/mol×K	828.67	Joback Calculated Property
Cp,gas	620.84	J/mol×K	864.88	Joback Calculated Property
Cp,gas	631.53	J/mol×K	901.09	Joback Calculated Property
η	[0.0000851; 0.0012360]	Pa×s	[398.21; 683.85]
η	0.0012360	Pa×s	398.21	Joback Calculated Property
η	0.0006236	Pa×s	445.82	Joback Calculated Property
η	0.0003591	Pa×s	493.42	Joback Calculated Property
η	0.0002278	Pa×s	541.03	Joback Calculated Property
η	0.0001556	Pa×s	588.64	Joback Calculated Property
η	0.0001125	Pa×s	636.24	Joback Calculated Property
η	0.0000851	Pa×s	683.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-tert-Butoxypropan-2-yl 2-chlorobenzoate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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