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

InChI

InChI=1S/C14H18N2O5/c1-10(2)9-21-13(17)8-15(3)14(18)11-4-6-12(7-5-11)16(19)20/h4-7,10H,8-9H2,1-3H3

InChI Key

KTWBHNIUVDHBFS-UHFFFAOYSA-N

Formula

C14H18N2O5

SMILES

CC(C)COC(=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	0.8317		Relay (1.0) Calculated Property
ΔfG°	-49.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-499.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.91	kJ/mol	Joback Calculated Property
ΔvapH°	97.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-3.24		Relay (1.0) Calculated Property
logPoct/wat	1.866		Crippen Calculated Property
McVol	220.770	ml/mol	McGowan Calculated Property
Pc	2227.09	kPa	Joback Calculated Property
Inp	[2373.00; 2373.00]
Inp	2373.00		NIST
Inp	2373.00		NIST
Tboil	617.01	K	Relay (1.0) Calculated Property
Tc	864.90	K	Relay (1.0) Calculated Property
Tfus	351.51	K	Relay (1.0) Calculated Property
Vc	0.793	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[657.54; 716.51]	J/mol×K	[845.38; 1073.50]
Cp,gas	657.54	J/mol×K	845.38	Joback Calculated Property
Cp,gas	669.94	J/mol×K	883.40	Joback Calculated Property
Cp,gas	681.25	J/mol×K	921.42	Joback Calculated Property
Cp,gas	691.52	J/mol×K	959.44	Joback Calculated Property
Cp,gas	700.79	J/mol×K	997.46	Joback Calculated Property
Cp,gas	709.10	J/mol×K	1035.48	Joback Calculated Property
Cp,gas	716.51	J/mol×K	1073.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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