Chemical Properties of Benzoic acid, 2-isopropylamino-, isopropyl ester

InChI

InChI=1S/C13H19NO2/c1-9(2)14-12-8-6-5-7-11(12)13(15)16-10(3)4/h5-10,14H,1-4H3

InChI Key

OYIFFYYOMWEOTK-UHFFFAOYSA-N

Formula

C13H19NO2

SMILES

CC(C)Nc1ccccc1C(=O)OC(C)C

Molecular Weight¹

221.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-404.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.50	kJ/mol	Joback Calculated Property
IE	7.85	eV	Relay (1.0) Calculated Property
log10WS	-3.52		Relay (1.0) Calculated Property
logPoct/wat	3.072		Crippen Calculated Property
McVol	187.690	ml/mol	McGowan Calculated Property
Pc	2233.41	kPa	Joback Calculated Property
Inp	[1587.00; 1587.00]
Inp	1587.00		NIST
Inp	1587.00		NIST
Tboil	537.84	K	Relay (1.0) Calculated Property
Tfus	286.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[492.33; 574.66]	J/mol×K	[636.21; 845.87]
Cp,gas	492.33	J/mol×K	636.21	Joback Calculated Property
Cp,gas	508.49	J/mol×K	671.15	Joback Calculated Property
Cp,gas	523.65	J/mol×K	706.10	Joback Calculated Property
Cp,gas	537.82	J/mol×K	741.04	Joback Calculated Property
Cp,gas	551.02	J/mol×K	775.98	Joback Calculated Property
Cp,gas	563.30	J/mol×K	810.93	Joback Calculated Property
Cp,gas	574.66	J/mol×K	845.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-isopropylamino-, isopropyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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