Chemical Properties of Sarcosine, N-(3-phenylpropionyl)-, hexyl ester

InChI

InChI=1S/C18H27NO3/c1-3-4-5-9-14-22-18(21)15-19(2)17(20)13-12-16-10-7-6-8-11-16/h6-8,10-11H,3-5,9,12-15H2,1-2H3

InChI Key

NVLBDUUSVHNJFR-UHFFFAOYSA-N

Formula

C18H27NO3

SMILES

CCCCCCOC(=O)CN(C)C(=O)CCc1ccccc1

Molecular Weight¹

305.41

• 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	0.8462		Relay (1.0) Calculated Property
ΔfG°	-38.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-562.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.82	kJ/mol	Joback Calculated Property
ΔvapH°	98.07	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-3.17		Relay (1.0) Calculated Property
logPoct/wat	3.201		Crippen Calculated Property
McVol	259.710	ml/mol	McGowan Calculated Property
Pc	1589.81	kPa	Joback Calculated Property
Inp	[2424.00; 2424.00]
Inp	2424.00		NIST
Inp	2424.00		NIST
Tboil	626.06	K	Relay (1.0) Calculated Property
Tc	834.03	K	Relay (1.0) Calculated Property
Tfus	289.77	K	Relay (1.0) Calculated Property
Vc	0.962	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[774.46; 856.99]	J/mol×K	[780.52; 978.42]
Cp,gas	774.46	J/mol×K	780.52	Joback Calculated Property
Cp,gas	790.69	J/mol×K	813.50	Joback Calculated Property
Cp,gas	805.87	J/mol×K	846.49	Joback Calculated Property
Cp,gas	820.05	J/mol×K	879.47	Joback Calculated Property
Cp,gas	833.27	J/mol×K	912.45	Joback Calculated Property
Cp,gas	845.57	J/mol×K	945.44	Joback Calculated Property
Cp,gas	856.99	J/mol×K	978.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(3-phenylpropionyl)-, hexyl ester.

Sources

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

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