Chemical Properties of Rebemide (CAS 1696-17-9)

InChI

InChI=1S/C11H15NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

InChI Key

JLNGEXDJAQASHD-UHFFFAOYSA-N

Formula

C11H15NO

SMILES

CCN(CC)C(=O)c1ccccc1

Molecular Weight¹

177.24

CAS

1696-17-9

Other Names

• Benzamide, N,N-diethyl-
• Benzoic acid diethylamide
• Benzoic acid N,N-diethylamide
• Benzoyldiethylamine
• N,N-Diethylbenzamide
• R 2
• Rebemid
• R 2 (insect repellant)
• REP
• NSC 16060

• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_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	0.5114		Relay (1.0) Calculated Property
ΔfG°	136.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-145.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.91	kJ/mol	Joback Calculated Property
ΔsubH°	91.40 ± 3.20	kJ/mol	NIST
ΔvapH°	67.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.38	eV	Relay (1.0) Calculated Property
log10WS	-2.17		Relay (1.0) Calculated Property
logPoct/wat	2.169		Crippen Calculated Property
McVol	153.640	ml/mol	McGowan Calculated Property
Pc	2823.32	kPa	Joback Calculated Property
Inp	[1456.00; 1456.00]
Inp	1456.00		NIST
Inp	1456.00		NIST
Tboil	552.22	K	Relay (1.0) Calculated Property
Tc	745.81	K	Relay (1.0) Calculated Property
Tfus	267.57	K	Relay (1.0) Calculated Property
Vc	0.560	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[53.20; 56.50]	kJ/mol	[388.00; 389.50]
ΔvapH	56.50	kJ/mol	388.00	NIST
ΔvapH	53.20	kJ/mol	389.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.01; 495.35]	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			-4.43480e+01
Coefficient B			1.06584e+00
Coefficient C			-6.99700e-04
Coefficient D			1.73560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.01	J/mol×K	273.00	Calculated Property
Cp,gas	252.83	J/mol×K	353.78	Calculated Property
Cp,gas	300.93	J/mol×K	434.56	Calculated Property
Cp,gas	342.85	J/mol×K	515.33	Calculated Property
Cp,gas	379.14	J/mol×K	596.11	Calculated Property
Cp,gas	410.35	J/mol×K	676.89	Calculated Property
Cp,gas	437.02	J/mol×K	757.67	Calculated Property
Cp,gas	459.72	J/mol×K	838.44	Calculated Property
Cp,gas	478.98	J/mol×K	919.22	Calculated Property
Cp,gas	495.35	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Rebemide.

Sources

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

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