Chemical Properties of N,N-Diisopropylbenzamide (CAS 20383-28-2)

InChI

InChI=1S/C13H19NO/c1-10(2)14(11(3)4)13(15)12-8-6-5-7-9-12/h5-11H,1-4H3

InChI Key

UYXMMJPYFKRKKM-UHFFFAOYSA-N

Formula

C13H19NO

SMILES

CC(C)N(C(=O)c1ccccc1)C(C)C

Molecular Weight¹

205.30

CAS

20383-28-2

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_boilr : Boiling point at reduced pressure (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	0.5074		Relay (1.0) Calculated Property
ΔfG°	147.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-183.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.04	kJ/mol	Joback Calculated Property
ΔvapH°	69.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
log10WS	-2.84		Relay (1.0) Calculated Property
logPoct/wat	2.946		Crippen Calculated Property
McVol	181.820	ml/mol	McGowan Calculated Property
Pc	2361.07	kPa	Joback Calculated Property
Inp	[1524.00; 1524.00]
Inp	1524.00		NIST
Inp	1524.00		NIST
Tboil	549.53	K	Relay (1.0) Calculated Property
Tc	755.10	K	Relay (1.0) Calculated Property
Tfus	343.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.652	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[239.81; 599.61]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.95300e+01
Coefficient B			1.26768e+00
Coefficient C			-8.14900e-04
Coefficient D			1.96360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	239.81	J/mol×K	273.00	Calculated Property
Cp,gas	305.65	J/mol×K	353.78	Calculated Property
Cp,gas	363.58	J/mol×K	434.56	Calculated Property
Cp,gas	414.21	J/mol×K	515.33	Calculated Property
Cp,gas	458.17	J/mol×K	596.11	Calculated Property
Cp,gas	496.08	J/mol×K	676.89	Calculated Property
Cp,gas	528.55	J/mol×K	757.67	Calculated Property
Cp,gas	556.22	J/mol×K	838.44	Calculated Property
Cp,gas	579.70	J/mol×K	919.22	Calculated Property
Cp,gas	599.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N,N-Diisopropylbenzamide.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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