Chemical Properties of (.+/-.)-MDEA (CAS 82801-81-8)

InChI

InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3

InChI Key

PVXVWWANJIWJOO-UHFFFAOYSA-N

Formula

C12H17NO2

SMILES

CCNC(C)Cc1ccc2c(c1)OCO2

Molecular Weight¹

207.27

CAS

82801-81-8

• 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°	126.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-200.09	kJ/mol	Joback Calculated Property
ΔfusH°	34.70	kJ/mol	Joback Calculated Property
ΔvapH°	61.20	kJ/mol	Joback Calculated Property
log10WS	-3.04		Crippen Calculated Property
logPoct/wat	1.956		Crippen Calculated Property
McVol	167.040	ml/mol	McGowan Calculated Property
Pc	2761.36	kPa	Joback Calculated Property
Inp	[1596.40; 1596.40]
Inp	1596.40		NIST
Inp	1596.40		NIST
Tboil	625.64	K	Joback Calculated Property
Tc	843.18	K	Joback Calculated Property
Tfus	389.44	K	Joback Calculated Property
Vc	0.628	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[445.14; 522.85]	J/mol×K	[625.64; 843.18]
Cp,gas	445.14	J/mol×K	625.64	Joback Calculated Property
Cp,gas	460.34	J/mol×K	661.90	Joback Calculated Property
Cp,gas	474.55	J/mol×K	698.15	Joback Calculated Property
Cp,gas	487.84	J/mol×K	734.41	Joback Calculated Property
Cp,gas	500.28	J/mol×K	770.66	Joback Calculated Property
Cp,gas	511.93	J/mol×K	806.92	Joback Calculated Property
Cp,gas	522.85	J/mol×K	843.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to (.+/-.)-MDEA.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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