Chemical Properties of Sarcosylsarcosine, n-propoxycarbonyl-, hexyl ester

InChI

InChI=1S/C16H30N2O5/c1-5-7-8-9-11-22-15(20)13-17(3)14(19)12-18(4)16(21)23-10-6-2/h5-13H2,1-4H3

InChI Key

AHJGODUNJQTHMQ-UHFFFAOYSA-N

Formula

C16H30N2O5

SMILES

CCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCCC

Molecular Weight¹

330.42

• 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	0.9614		Relay (... Calculated Property
ΔfG°	-291.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1038.17	kJ/mol	Relay (... Calculated Property
ΔfusH°	50.41	kJ/mol	Joback Calculated Property
ΔvapH°	92.03	kJ/mol	Relay (... Calculated Property
IE	8.56	eV	Relay (... Calculated Property
log10WS	-2.13		Relay (... Calculated Property
logPoct/wat	2.047		Crippen Calculated Property
McVol	272.710	ml/mol	McGowan Calculated Property
Pc	1475.88	kPa	Joback Calculated Property
Inp	[2310.00; 2310.00]
Inp	2310.00		NIST
Inp	2310.00		NIST
Tboil	603.88	K	Relay (... Calculated Property
Tc	794.31	K	Relay (... Calculated Property
Tfus	284.46	K	Relay (... Calculated Property
Vc	1.041	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[839.49; 918.96]	J/mol×K	[796.81; 982.21]
Cp,gas	839.49	J/mol×K	796.81	Joback Calculated Property
Cp,gas	855.06	J/mol×K	827.71	Joback Calculated Property
Cp,gas	869.68	J/mol×K	858.61	Joback Calculated Property
Cp,gas	883.36	J/mol×K	889.51	Joback Calculated Property
Cp,gas	896.12	J/mol×K	920.41	Joback Calculated Property
Cp,gas	907.98	J/mol×K	951.31	Joback Calculated Property
Cp,gas	918.96	J/mol×K	982.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosylsarcosine, n-propoxycarbonyl-, hexyl ester.

Sources

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

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