Chemical Properties of Ethanediamine, N-(1,3-benzodioxol-5-ylmethyl), N,N'-diacetyl

InChI

InChI=1S/C14H18N2O4/c1-10(17)15-5-6-16(11(2)18)8-12-3-4-13-14(7-12)20-9-19-13/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,17)

InChI Key

VBUZYSAZBMAJEG-UHFFFAOYSA-N

Formula

C14H18N2O4

SMILES

CC(=O)NCCN(Cc1ccc2c(c1)OCO2)C(C)=O

Molecular Weight¹

278.30

• 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_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	0.7908		Relay (1.0) Calculated Property
ΔfG°	-1.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-562.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.62	kJ/mol	Joback Calculated Property
ΔvapH°	102.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
log10WS	-1.72		Relay (1.0) Calculated Property
logPoct/wat	0.900		Crippen Calculated Property
McVol	208.340	ml/mol	McGowan Calculated Property
Pc	2553.34	kPa	Joback Calculated Property
Inp	[2320.00; 2320.00]
Inp	2320.00		NIST
Inp	2320.00		NIST
Tboil	636.86	K	Relay (1.0) Calculated Property
Tc	907.40	K	Relay (1.0) Calculated Property
Tfus	362.05	K	Relay (1.0) Calculated Property
Vc	0.778	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[618.97; 684.28]	J/mol×K	[792.02; 1008.83]
Cp,gas	618.97	J/mol×K	792.02	Joback Calculated Property
Cp,gas	631.77	J/mol×K	828.16	Joback Calculated Property
Cp,gas	643.71	J/mol×K	864.29	Joback Calculated Property
Cp,gas	654.85	J/mol×K	900.43	Joback Calculated Property
Cp,gas	665.27	J/mol×K	936.56	Joback Calculated Property
Cp,gas	675.06	J/mol×K	972.70	Joback Calculated Property
Cp,gas	684.28	J/mol×K	1008.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanediamine, N-(1,3-benzodioxol-5-ylmethyl), N,N'-diacetyl.

Sources

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

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