Chemical Properties of Diethylmalonic acid, butyl 2-nitrophenyl ester

InChI

InChI=1S/C17H23NO6/c1-4-7-12-23-15(19)17(5-2,6-3)16(20)24-14-11-9-8-10-13(14)18(21)22/h8-11H,4-7,12H2,1-3H3

InChI Key

UCZSXQWHWRZMEK-UHFFFAOYSA-N

Formula

C17H23NO6

SMILES

CCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1[N+](=O)[O-]

Molecular Weight¹

337.37

• 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°	-234.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-678.26	kJ/mol	Joback Calculated Property
ΔfusH°	42.96	kJ/mol	Joback Calculated Property
ΔvapH°	89.98	kJ/mol	Joback Calculated Property
log10WS	-4.82		Crippen Calculated Property
logPoct/wat	3.650		Crippen Calculated Property
McVol	258.930	ml/mol	McGowan Calculated Property
Pc	1720.31	kPa	Joback Calculated Property
Inp	[2264.00; 2264.00]
Inp	2264.00		NIST
Inp	2264.00		NIST
Tboil	921.21	K	Joback Calculated Property
Tc	1149.56	K	Joback Calculated Property
Tfus	610.64	K	Joback Calculated Property
Vc	0.999	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[813.12; 871.02]	J/mol×K	[921.21; 1149.56]
Cp,gas	813.12	J/mol×K	921.21	Joback Calculated Property
Cp,gas	825.55	J/mol×K	959.27	Joback Calculated Property
Cp,gas	836.80	J/mol×K	997.33	Joback Calculated Property
Cp,gas	846.92	J/mol×K	1035.39	Joback Calculated Property
Cp,gas	855.96	J/mol×K	1073.45	Joback Calculated Property
Cp,gas	863.98	J/mol×K	1111.51	Joback Calculated Property
Cp,gas	871.02	J/mol×K	1149.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, butyl 2-nitrophenyl ester.

Sources

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

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