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

InChI

InChI=1S/C12H14N2O5/c1-3-19-11(15)8-13(2)12(16)9-4-6-10(7-5-9)14(17)18/h4-7H,3,8H2,1-2H3

InChI Key

HRCVPDCQBGOHDU-UHFFFAOYSA-N

Formula

C12H14N2O5

SMILES

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

Molecular Weight¹

266.25

• 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°	-63.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-366.56	kJ/mol	Joback Calculated Property
ΔfusH°	39.26	kJ/mol	Joback Calculated Property
ΔvapH°	79.78	kJ/mol	Joback Calculated Property
log10WS	-2.38		Crippen Calculated Property
logPoct/wat	1.230		Crippen Calculated Property
McVol	192.590	ml/mol	McGowan Calculated Property
Pc	2670.78	kPa	Joback Calculated Property
Inp	[2225.00; 2225.00]
Inp	2225.00		NIST
Inp	2225.00		NIST
Tboil	800.06	K	Joback Calculated Property
Tc	1030.84	K	Joback Calculated Property
Tfus	562.11	K	Joback Calculated Property
Vc	0.730	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[547.78; 603.17]	J/mol×K	[800.06; 1030.84]
Cp,gas	547.78	J/mol×K	800.06	Joback Calculated Property
Cp,gas	559.42	J/mol×K	838.52	Joback Calculated Property
Cp,gas	570.03	J/mol×K	876.99	Joback Calculated Property
Cp,gas	579.68	J/mol×K	915.45	Joback Calculated Property
Cp,gas	588.39	J/mol×K	953.91	Joback Calculated Property
Cp,gas	596.21	J/mol×K	992.38	Joback Calculated Property
Cp,gas	603.17	J/mol×K	1030.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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