Chemical Properties of Aminocarb (CAS 2032-59-9)

InChI

InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)

InChI Key

IMIDOCRTMDIQIJ-UHFFFAOYSA-N

Formula

C11H16N2O2

SMILES

CNC(=O)Oc1ccc(N(C)C)c(C)c1

Molecular Weight¹

208.26

CAS

2032-59-9

Other Names

• (4-Dimethylamino-3-methyl-phenyl)N-methyl-carbamaat
• (4-Dimethylamino-3-methyl-phenyl)N-methyl-carbamat
• (4-Dimethylamino-3-methyl-phenyl)N-methyl-carbamate
• (4-Dimetilamino-3-metil-fenil)-N-metil-carbammato
• 3-Methyl-4-(Dimethylamino)phenyl methylcarbamate
• 4-(Dimethylamino)-3-cresyl methylcarbamate
• 4-(Dimethylamino)-3-methylphenol methyl carbamate
• 4-(Dimethylamino)-3-tolyl methylcarbamate
• 4-(Dimethylamino)-m-tolyl methylcarbamate
• 4-Dimethylamino- m-cresyl methylcarbamate
• 4-Dimethylamino-3-methylphenyl methylcarbamate
• A 363
• Aminocarbe
• BAY 44646
• BAYER 44646
• Bayer 5080
• Carbamic acid, methyl-, 4-(dimethylamino)-3-methylphenyl ester
• Carbamic acid, methyl-, 4-(dimethylamino)-m-tolyl ester
• ENT 25,784
• Matacil
• Matacil 180D
• Mitacil
• N-Methylcarbamate de 4-dimethylamino 3-methyl phenyle
• Phenol, 4-(dimethylamino)-3-methyl-, methylcarbamate
• Phenol, 4-(dimethylamino)-3-methyl-, methylcarbamate (ester)
• m-Cresol, 4-(dimethylamino)-, methylcarbamate

• 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).
• 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
ΔfG°	101.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-180.58	kJ/mol	Joback Calculated Property
ΔfusH°	28.42	kJ/mol	Joback Calculated Property
ΔvapH°	61.31	kJ/mol	Joback Calculated Property
log10WS	[-2.36; -2.36]
log10WS	-2.36		Aq. Sol...
log10WS	-2.36		Estimat...
logPoct/wat	1.779		Crippen Calculated Property
McVol	169.490	ml/mol	McGowan Calculated Property
Pc	2724.01	kPa	Joback Calculated Property
Inp	[1743.00; 1781.00]
Inp	1743.00		NIST
Inp	1781.00		NIST
Inp	1743.00		NIST
Tboil	626.62	K	Joback Calculated Property
Tc	834.88	K	Joback Calculated Property
Tfus	[366.65; 368.00]	K
Tfus	366.65	K	Aq. Sol...
Tfus	368.00 ± 0.20	K	NIST
Vc	0.621	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[431.98; 505.41]	J/mol×K	[626.62; 834.88]
Cp,gas	431.98	J/mol×K	626.62	Joback Calculated Property
Cp,gas	446.23	J/mol×K	661.33	Joback Calculated Property
Cp,gas	459.65	J/mol×K	696.04	Joback Calculated Property
Cp,gas	472.26	J/mol×K	730.75	Joback Calculated Property
Cp,gas	484.08	J/mol×K	765.46	Joback Calculated Property
Cp,gas	495.12	J/mol×K	800.17	Joback Calculated Property
Cp,gas	505.41	J/mol×K	834.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Aminocarb.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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