Chemical Properties of N-(1-methylpropyl)-N-methyl-benzamide

InChI

InChI=1S/C12H17NO/c1-4-10(2)13(3)12(14)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3

InChI Key

BRCXRESFUXLPOM-UHFFFAOYSA-N

Formula

C12H17NO

SMILES

CCC(C)N(C)C(=O)c1ccccc1

Molecular Weight¹

191.27

• ω : Acentric Factor.
• 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).
• 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
ω	0.5079		Relay (1.0) Calculated Property
ΔfH°gas	-164.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.97	kJ/mol	Joback Calculated Property
ΔvapH°	69.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
log10WS	-2.40		Relay (1.0) Calculated Property
logPoct/wat	2.557		Crippen Calculated Property
McVol	167.730	ml/mol	McGowan Calculated Property
Pc	2576.72	kPa	Joback Calculated Property
Inp	[1567.69; 1634.08]
Inp	1567.69		NIST
Inp	1582.36		NIST
Inp	1580.72		NIST
Inp	1594.83		NIST
Inp	1603.84		NIST
Inp	1621.60		NIST
Inp	1617.16		NIST
Inp	1634.08		NIST
I	[2434.25; 2475.52]
I	2434.25		NIST
I	2450.89		NIST
I	2447.50		NIST
I	2463.28		NIST
I	2460.44		NIST
I	2475.52		NIST
Tboil	559.27	K	Relay (1.0) Calculated Property
Tc	754.07	K	Relay (1.0) Calculated Property
Tfus	275.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.91; 547.48]	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			-4.69390e+01
Coefficient B			1.16676e+00
Coefficient C			-7.57300e-04
Coefficient D			1.84960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.91	J/mol×K	273.00	Calculated Property
Cp,gas	279.24	J/mol×K	353.78	Calculated Property
Cp,gas	332.25	J/mol×K	434.56	Calculated Property
Cp,gas	378.53	J/mol×K	515.33	Calculated Property
Cp,gas	418.65	J/mol×K	596.11	Calculated Property
Cp,gas	453.21	J/mol×K	676.89	Calculated Property
Cp,gas	482.79	J/mol×K	757.67	Calculated Property
Cp,gas	507.97	J/mol×K	838.44	Calculated Property
Cp,gas	529.34	J/mol×K	919.22	Calculated Property
Cp,gas	547.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-(1-methylpropyl)-N-methyl-benzamide.

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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