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

InChI

InChI=1S/C17H24N2O5/c1-3-4-5-6-7-12-24-16(20)13-18(2)17(21)14-8-10-15(11-9-14)19(22)23/h8-11H,3-7,12-13H2,1-2H3

InChI Key

LQCHYZDWIDKALS-UHFFFAOYSA-N

Formula

C17H24N2O5

SMILES

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

Molecular Weight¹

336.38

• 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°	-21.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-469.76	kJ/mol	Joback Calculated Property
ΔfusH°	52.21	kJ/mol	Joback Calculated Property
ΔvapH°	90.91	kJ/mol	Joback Calculated Property
log10WS	-4.48		Crippen Calculated Property
logPoct/wat	3.180		Crippen Calculated Property
McVol	263.040	ml/mol	McGowan Calculated Property
Pc	1714.61	kPa	Joback Calculated Property
Inp	[2720.00; 2720.00]
Inp	2720.00		NIST
Inp	2720.00		NIST
Tboil	914.46	K	Joback Calculated Property
Tc	1135.53	K	Joback Calculated Property
Tfus	618.46	K	Joback Calculated Property
Vc	1.010	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[827.31; 889.33]	J/mol×K	[914.46; 1135.53]
Cp,gas	827.31	J/mol×K	914.46	Joback Calculated Property
Cp,gas	840.22	J/mol×K	951.31	Joback Calculated Property
Cp,gas	852.03	J/mol×K	988.15	Joback Calculated Property
Cp,gas	862.80	J/mol×K	1025.00	Joback Calculated Property
Cp,gas	872.57	J/mol×K	1061.84	Joback Calculated Property
Cp,gas	881.39	J/mol×K	1098.69	Joback Calculated Property
Cp,gas	889.33	J/mol×K	1135.53	Joback Calculated Property

Similar Compounds

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

Sources

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

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