Chemical Properties of Benzamide, N-tetrahydrofurfuryl-4-nitro-

InChI

InChI=1S/C12H14N2O4/c15-12(13-8-11-2-1-7-18-11)9-3-5-10(6-4-9)14(16)17/h3-6,11H,1-2,7-8H2,(H,13,15)

InChI Key

ZIDAIXFZQZFHDE-UHFFFAOYSA-N

Formula

C12H14N2O4

SMILES

O=C(NCC1CCCO1)c1ccc([N+](=O)[O-])cc1

Molecular Weight¹

250.25

• 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°	99.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-207.34	kJ/mol	Joback Calculated Property
ΔfusH°	40.46	kJ/mol	Joback Calculated Property
ΔvapH°	79.78	kJ/mol	Joback Calculated Property
log10WS	-3.24		Crippen Calculated Property
logPoct/wat	1.504		Crippen Calculated Property
McVol	180.160	ml/mol	McGowan Calculated Property
Pc	3103.64	kPa	Joback Calculated Property
Inp	[2244.00; 2244.00]
Inp	2244.00		NIST
Inp	2244.00		NIST
Tboil	803.73	K	Joback Calculated Property
Tc	1057.98	K	Joback Calculated Property
Tfus	547.61	K	Joback Calculated Property
Vc	0.684	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.18; 602.82]	J/mol×K	[803.73; 1057.98]
Cp,gas	540.18	J/mol×K	803.73	Joback Calculated Property
Cp,gas	553.46	J/mol×K	846.10	Joback Calculated Property
Cp,gas	565.49	J/mol×K	888.48	Joback Calculated Property
Cp,gas	576.35	J/mol×K	930.85	Joback Calculated Property
Cp,gas	586.14	J/mol×K	973.23	Joback Calculated Property
Cp,gas	594.94	J/mol×K	1015.60	Joback Calculated Property
Cp,gas	602.82	J/mol×K	1057.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, N-tetrahydrofurfuryl-4-nitro-.

Sources

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

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