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

InChI

InChI=1S/C17H32N2O5/c1-5-7-9-10-12-23-16(21)14-18(3)15(20)13-19(4)17(22)24-11-8-6-2/h5-14H2,1-4H3

InChI Key

WMGCLQYMQNSQOF-UHFFFAOYSA-N

Formula

C17H32N2O5

SMILES

CCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCCCC

Molecular Weight¹

344.45

• 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	0.9963		Relay (... Calculated Property
ΔfG°	-282.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-1057.85	kJ/mol	Relay (... Calculated Property
ΔfusH°	53.00	kJ/mol	Joback Calculated Property
ΔvapH°	97.48	kJ/mol	Relay (... Calculated Property
IE	8.53	eV	Relay (... Calculated Property
log10WS	-2.47		Relay (... Calculated Property
logPoct/wat	2.437		Crippen Calculated Property
McVol	286.800	ml/mol	McGowan Calculated Property
Pc	1372.76	kPa	Joback Calculated Property
Inp	[2393.00; 2393.00]
Inp	2393.00		NIST
Inp	2393.00		NIST
Tboil	608.89	K	Relay (... Calculated Property
Tc	804.52	K	Relay (... Calculated Property
Tfus	283.11	K	Relay (... Calculated Property
Vc	1.096	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[898.08; 979.02]	J/mol×K	[819.69; 1007.36]
Cp,gas	898.08	J/mol×K	819.69	Joback Calculated Property
Cp,gas	914.03	J/mol×K	850.97	Joback Calculated Property
Cp,gas	928.96	J/mol×K	882.25	Joback Calculated Property
Cp,gas	942.90	J/mol×K	913.52	Joback Calculated Property
Cp,gas	955.88	J/mol×K	944.80	Joback Calculated Property
Cp,gas	967.91	J/mol×K	976.08	Joback Calculated Property
Cp,gas	979.02	J/mol×K	1007.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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