Chemical Properties of Sarcosylsarcosine, N-isobutoxycarbonyl-, butyl ester

InChI

InChI=1S/C15H28N2O5/c1-6-7-8-21-14(19)10-16(4)13(18)9-17(5)15(20)22-11-12(2)3/h12H,6-11H2,1-5H3

InChI Key

DHFKALVZKRFMAZ-UHFFFAOYSA-N

Formula

C15H28N2O5

SMILES

CCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC(C)C

Molecular Weight¹

316.39

• 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°	-302.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-825.33	kJ/mol	Joback Calculated Property
ΔfusH°	44.30	kJ/mol	Joback Calculated Property
ΔvapH°	77.74	kJ/mol	Joback Calculated Property
log10WS	-1.48		Crippen Calculated Property
logPoct/wat	1.512		Crippen Calculated Property
McVol	258.620	ml/mol	McGowan Calculated Property
Pc	1601.28	kPa	Joback Calculated Property
Inp	[2175.00; 2175.00]
Inp	2175.00		NIST
Inp	2175.00		NIST
Tboil	773.49	K	Joback Calculated Property
Tc	958.90	K	Joback Calculated Property
Tfus	503.00	K	Joback Calculated Property
Vc	0.960	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[782.31; 860.71]	J/mol×K	[773.49; 958.90]
Cp,gas	782.31	J/mol×K	773.49	Joback Calculated Property
Cp,gas	797.65	J/mol×K	804.39	Joback Calculated Property
Cp,gas	812.05	J/mol×K	835.29	Joback Calculated Property
Cp,gas	825.55	J/mol×K	866.19	Joback Calculated Property
Cp,gas	838.14	J/mol×K	897.09	Joback Calculated Property
Cp,gas	849.85	J/mol×K	928.00	Joback Calculated Property
Cp,gas	860.71	J/mol×K	958.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosylsarcosine, N-isobutoxycarbonyl-, butyl ester.

Sources

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

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