Chemical Properties of Methyldymron (CAS 42609-73-4)

InChI

InChI=1S/C18H22N2O/c1-14-10-12-16(13-11-14)20(4)17(21)19-18(2,3)15-8-6-5-7-9-15/h5-13H,1-4H3,(H,19,21)

InChI Key

PQLUFUDWFGZVEG-UHFFFAOYSA-N

Formula

C18H22N2O

SMILES

Cc1ccc(N(C)C(O)=NC(C)(C)c2ccccc2)cc1

Molecular Weight¹

282.38

CAS

42609-73-4

Other Names

• Urea, N-methyl-N'-(1-methyl-1-phenylethyl)-N-phenyl-

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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_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	0.7893		Relay (1.0) Calculated Property
ΔfG°	330.53	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-64.75	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	114.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	[-3.35; -3.35]
log10WS	-3.35		Aq. Solubility Prediction
log10WS	-3.35		Estimated Solubility
logPoct/wat	4.281		Crippen Calculated Property
McVol	238.490	ml/mol	McGowan Calculated Property
Pc	1906.90	kPa	Joback Calculated Property
Inp	2062.00		NIST
Tboil	632.14	K	Relay (1.0) Calculated Property
Tc	922.79	K	Relay (1.0) Calculated Property
Tfus	387.27	K	Relay (1.0) Calculated Property
Vc	0.857	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Methyldymron.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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