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

InChI

InChI=1S/C14H18ClNO3/c1-10(2)9-19-13(17)8-16(3)14(18)11-4-6-12(15)7-5-11/h4-7,10H,8-9H2,1-3H3

InChI Key

BIRRTJZKUPXLRD-UHFFFAOYSA-N

Formula

C14H18ClNO3

SMILES

CC(C)COC(=O)CN(C)C(=O)c1ccc(Cl)cc1

Molecular Weight¹

283.75

• 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	0.7008		Relay (1.0) Calculated Property
ΔfG°	-96.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-542.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.75	kJ/mol	Joback Calculated Property
ΔvapH°	86.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-3.57		Relay (1.0) Calculated Property
logPoct/wat	2.611		Crippen Calculated Property
McVol	215.590	ml/mol	McGowan Calculated Property
Pc	2127.56	kPa	Joback Calculated Property
Inp	[2117.00; 2117.00]
Inp	2117.00		NIST
Inp	2117.00		NIST
Tboil	614.58	K	Relay (1.0) Calculated Property
Tc	814.22	K	Relay (1.0) Calculated Property
Tfus	321.75	K	Relay (1.0) Calculated Property
Vc	0.782	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[579.70; 649.88]	J/mol×K	[730.97; 943.15]
Cp,gas	579.70	J/mol×K	730.97	Joback Calculated Property
Cp,gas	593.74	J/mol×K	766.33	Joback Calculated Property
Cp,gas	606.80	J/mol×K	801.70	Joback Calculated Property
Cp,gas	618.91	J/mol×K	837.06	Joback Calculated Property
Cp,gas	630.10	J/mol×K	872.43	Joback Calculated Property
Cp,gas	640.41	J/mol×K	907.79	Joback Calculated Property
Cp,gas	649.88	J/mol×K	943.15	Joback Calculated Property

Similar Compounds

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

Sources

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

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