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

InChI

InChI=1S/C15H28N2O5/c1-5-7-9-21-14(19)12-16(3)13(18)11-17(4)15(20)22-10-8-6-2/h5-12H2,1-4H3

InChI Key

LIFSRIBRQMAORB-UHFFFAOYSA-N

Formula

C15H28N2O5

SMILES

CCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCCCC

Molecular Weight¹

316.39

• 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	0.9258		Relay (1.0) Calculated Property
ΔfG°	-299.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1021.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.82	kJ/mol	Joback Calculated Property
ΔvapH°	91.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-1.65		Relay (1.0) Calculated Property
logPoct/wat	1.657		Crippen Calculated Property
McVol	258.620	ml/mol	McGowan Calculated Property
Pc	1591.08	kPa	Joback Calculated Property
Inp	[2220.00; 2220.00]
Inp	2220.00		NIST
Inp	2220.00		NIST
Tboil	593.05	K	Relay (1.0) Calculated Property
Tc	785.71	K	Relay (1.0) Calculated Property
Tfus	278.28	K	Relay (1.0) Calculated Property
Vc	0.990	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[781.78; 859.71]	J/mol×K	[773.93; 957.76]
Cp,gas	781.78	J/mol×K	773.93	Joback Calculated Property
Cp,gas	796.98	J/mol×K	804.57	Joback Calculated Property
Cp,gas	811.28	J/mol×K	835.21	Joback Calculated Property
Cp,gas	824.68	J/mol×K	865.84	Joback Calculated Property
Cp,gas	837.21	J/mol×K	896.48	Joback Calculated Property
Cp,gas	848.88	J/mol×K	927.12	Joback Calculated Property
Cp,gas	859.71	J/mol×K	957.76	Joback Calculated Property

Similar Compounds

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

Sources

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

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