Chemical Properties of Sarcosine, N-(4-nitrobenzoyl-, propyl ester

InChI

InChI=1S/C13H16N2O5/c1-3-8-20-12(16)9-14(2)13(17)10-4-6-11(7-5-10)15(18)19/h4-7H,3,8-9H2,1-2H3

InChI Key

JDTAJJRQJXNIJX-UHFFFAOYSA-N

Formula

C13H16N2O5

SMILES

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

Molecular Weight¹

280.28

• 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	0.8251		Relay (1.0) Calculated Property
ΔfG°	-55.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-464.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.85	kJ/mol	Joback Calculated Property
ΔvapH°	95.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-2.97		Relay (1.0) Calculated Property
logPoct/wat	1.620		Crippen Calculated Property
McVol	206.680	ml/mol	McGowan Calculated Property
Pc	2424.27	kPa	Joback Calculated Property
Inp	[2323.00; 2323.00]
Inp	2323.00		NIST
Inp	2323.00		NIST
Tboil	610.43	K	Relay (1.0) Calculated Property
Tc	855.22	K	Relay (1.0) Calculated Property
Tfus	346.36	K	Relay (1.0) Calculated Property
Vc	0.744	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[601.89; 659.06]	J/mol×K	[822.94; 1050.49]
Cp,gas	601.89	J/mol×K	822.94	Joback Calculated Property
Cp,gas	613.85	J/mol×K	860.86	Joback Calculated Property
Cp,gas	624.79	J/mol×K	898.79	Joback Calculated Property
Cp,gas	634.73	J/mol×K	936.71	Joback Calculated Property
Cp,gas	643.73	J/mol×K	974.64	Joback Calculated Property
Cp,gas	651.83	J/mol×K	1012.56	Joback Calculated Property
Cp,gas	659.06	J/mol×K	1050.49	Joback Calculated Property

Similar Compounds

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

Sources

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

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