Chemical Properties of Sarcosine, N-(4-nitrobenzoyl)-, butyl ester

InChI

InChI=1S/C14H18N2O5/c1-3-4-9-21-13(17)10-15(2)14(18)11-5-7-12(8-6-11)16(19)20/h5-8H,3-4,9-10H2,1-2H3

InChI Key

HZBPUXWDEZNLPF-UHFFFAOYSA-N

Formula

C14H18N2O5

SMILES

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

Molecular Weight¹

294.30

• 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	0.8678		Relay (1.0) Calculated Property
ΔfG°	-46.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-484.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.44	kJ/mol	Joback Calculated Property
ΔvapH°	99.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-3.28		Relay (1.0) Calculated Property
logPoct/wat	2.010		Crippen Calculated Property
McVol	220.770	ml/mol	McGowan Calculated Property
Pc	2210.37	kPa	Joback Calculated Property
Inp	[2494.00; 2494.00]
Inp	2494.00		NIST
Inp	2494.00		NIST
Tboil	615.95	K	Relay (1.0) Calculated Property
Tc	866.02	K	Relay (1.0) Calculated Property
Tfus	335.06	K	Relay (1.0) Calculated Property
Vc	0.796	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[656.96; 715.63]	J/mol×K	[845.82; 1070.74]
Cp,gas	656.96	J/mol×K	845.82	Joback Calculated Property
Cp,gas	669.21	J/mol×K	883.31	Joback Calculated Property
Cp,gas	680.41	J/mol×K	920.79	Joback Calculated Property
Cp,gas	690.61	J/mol×K	958.28	Joback Calculated Property
Cp,gas	699.85	J/mol×K	995.76	Joback Calculated Property
Cp,gas	708.17	J/mol×K	1033.25	Joback Calculated Property
Cp,gas	715.63	J/mol×K	1070.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-nitrobenzoyl)-, butyl ester.

Sources

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

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