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

InChI

InChI=1S/C15H20N2O5/c1-3-4-5-10-22-14(18)11-16(2)15(19)12-6-8-13(9-7-12)17(20)21/h6-9H,3-5,10-11H2,1-2H3

InChI Key

GQKQRBUEHNOZJK-UHFFFAOYSA-N

Formula

C15H20N2O5

SMILES

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

Molecular Weight¹

308.33

• 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°	-38.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-428.48	kJ/mol	Joback Calculated Property
ΔfusH°	47.03	kJ/mol	Joback Calculated Property
ΔvapH°	86.46	kJ/mol	Joback Calculated Property
log10WS	-3.64		Crippen Calculated Property
logPoct/wat	2.400		Crippen Calculated Property
McVol	234.860	ml/mol	McGowan Calculated Property
Pc	2023.58	kPa	Joback Calculated Property
Inp	[2521.00; 2521.00]
Inp	2521.00		NIST
Inp	2521.00		NIST
Tboil	868.70	K	Joback Calculated Property
Tc	1091.63	K	Joback Calculated Property
Tfus	595.92	K	Joback Calculated Property
Vc	0.897	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[712.93; 772.87]	J/mol×K	[868.70; 1091.63]
Cp,gas	712.93	J/mol×K	868.70	Joback Calculated Property
Cp,gas	725.42	J/mol×K	905.86	Joback Calculated Property
Cp,gas	736.85	J/mol×K	943.01	Joback Calculated Property
Cp,gas	747.27	J/mol×K	980.17	Joback Calculated Property
Cp,gas	756.71	J/mol×K	1017.32	Joback Calculated Property
Cp,gas	765.23	J/mol×K	1054.48	Joback Calculated Property
Cp,gas	772.87	J/mol×K	1091.63	Joback Calculated Property

Similar Compounds

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

Sources

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

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