Chemical Properties of Sarcosine, N-(4-butylbenzoyl)-, propyl ester

InChI

InChI=1S/C17H25NO3/c1-4-6-7-14-8-10-15(11-9-14)17(20)18(3)13-16(19)21-12-5-2/h8-11H,4-7,12-13H2,1-3H3

InChI Key

GBQUFEJLMVRPER-UHFFFAOYSA-N

Formula

C17H25NO3

SMILES

CCCCc1ccc(C(=O)N(C)CC(=O)OCCC)cc1

Molecular Weight¹

291.39

• 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°	-57.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-459.00	kJ/mol	Joback Calculated Property
ΔfusH°	40.84	kJ/mol	Joback Calculated Property
ΔvapH°	74.32	kJ/mol	Joback Calculated Property
log10WS	-3.79		Crippen Calculated Property
logPoct/wat	3.054		Crippen Calculated Property
McVol	245.620	ml/mol	McGowan Calculated Property
Pc	1697.70	kPa	Joback Calculated Property
Inp	[2303.00; 2303.00]
Inp	2303.00		NIST
Inp	2303.00		NIST
Tboil	762.62	K	Joback Calculated Property
Tc	962.22	K	Joback Calculated Property
Tfus	474.85	K	Joback Calculated Property
Vc	0.927	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[716.91; 797.70]	J/mol×K	[762.62; 962.22]
Cp,gas	716.91	J/mol×K	762.62	Joback Calculated Property
Cp,gas	732.79	J/mol×K	795.89	Joback Calculated Property
Cp,gas	747.65	J/mol×K	829.15	Joback Calculated Property
Cp,gas	761.54	J/mol×K	862.42	Joback Calculated Property
Cp,gas	774.49	J/mol×K	895.69	Joback Calculated Property
Cp,gas	786.53	J/mol×K	928.95	Joback Calculated Property
Cp,gas	797.70	J/mol×K	962.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-butylbenzoyl)-, propyl ester.

Sources

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

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