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

InChI

InChI=1S/C19H36N2O5/c1-6-7-8-9-10-11-12-25-18(23)14-20(4)17(22)13-21(5)19(24)26-15-16(2)3/h16H,6-15H2,1-5H3

InChI Key

CKROKXBFSCPNKF-UHFFFAOYSA-N

Formula

C19H36N2O5

SMILES

CCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC(C)C

Molecular Weight¹

372.50

• 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	1.0401		Relay (... Calculated Property
ΔfG°	-268.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1108.73	kJ/mol	Relay (... Calculated Property
ΔfusH°	54.66	kJ/mol	Joback Calculated Property
ΔvapH°	99.58	kJ/mol	Relay (... Calculated Property
IE	8.61	eV	Relay (... Calculated Property
log10WS	-3.19		Relay (... Calculated Property
logPoct/wat	3.073		Crippen Calculated Property
McVol	314.980	ml/mol	McGowan Calculated Property
Pc	1203.12	kPa	Joback Calculated Property
Inp	[2508.00; 2508.00]
Inp	2508.00		NIST
Inp	2508.00		NIST
Tboil	625.44	K	Relay (... Calculated Property
Tc	814.70	K	Relay (... Calculated Property
Tfus	294.08	K	Relay (... Calculated Property
Vc	1.199	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1018.10; 1101.75]	J/mol×K	[865.01; 1059.84]
Cp,gas	1018.10	J/mol×K	865.01	Joback Calculated Property
Cp,gas	1034.84	J/mol×K	897.48	Joback Calculated Property
Cp,gas	1050.41	J/mol×K	929.95	Joback Calculated Property
Cp,gas	1064.86	J/mol×K	962.42	Joback Calculated Property
Cp,gas	1078.21	J/mol×K	994.90	Joback Calculated Property
Cp,gas	1090.49	J/mol×K	1027.37	Joback Calculated Property
Cp,gas	1101.75	J/mol×K	1059.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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