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

InChI

InChI=1S/C17H32N2O5/c1-13(2)8-7-9-23-16(21)11-18(5)15(20)10-19(6)17(22)24-12-14(3)4/h13-14H,7-12H2,1-6H3

InChI Key

HZZQTEAVDOHYJZ-UHFFFAOYSA-N

Formula

C17H32N2O5

SMILES

CC(C)CCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC(C)C

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	0.9373		Relay (1.0) Calculated Property
ΔfG°	-287.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-1091.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.95	kJ/mol	Joback Calculated Property
ΔvapH°	91.26	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-2.34		Relay (1.0) Calculated Property
logPoct/wat	2.149		Crippen Calculated Property
McVol	286.800	ml/mol	McGowan Calculated Property
Pc	1389.18	kPa	Joback Calculated Property
Inp	[2299.00; 2299.00]
Inp	2299.00		NIST
Inp	2299.00		NIST
Tboil	607.79	K	Relay (1.0) Calculated Property
Tc	797.48	K	Relay (1.0) Calculated Property
Tfus	296.21	K	Relay (1.0) Calculated Property
Vc	1.081	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[899.11; 980.47]	J/mol×K	[818.81; 1008.56]
Cp,gas	899.11	J/mol×K	818.81	Joback Calculated Property
Cp,gas	915.22	J/mol×K	850.43	Joback Calculated Property
Cp,gas	930.29	J/mol×K	882.06	Joback Calculated Property
Cp,gas	944.32	J/mol×K	913.68	Joback Calculated Property
Cp,gas	957.34	J/mol×K	945.31	Joback Calculated Property
Cp,gas	969.39	J/mol×K	976.93	Joback Calculated Property
Cp,gas	980.47	J/mol×K	1008.56	Joback Calculated Property

Similar Compounds

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

Sources

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

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