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

InChI

InChI=1S/C21H40N2O5/c1-6-7-8-9-10-11-12-13-14-27-20(25)16-22(4)19(24)15-23(5)21(26)28-17-18(2)3/h18H,6-17H2,1-5H3

InChI Key

BMHSXUKIEMWTRR-UHFFFAOYSA-N

Formula

C21H40N2O5

SMILES

CCCCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC(C)C

Molecular Weight¹

400.55

• 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	1.1120		Relay (1.0) Calculated Property
ΔfG°	-251.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-1148.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.84	kJ/mol	Joback Calculated Property
ΔvapH°	108.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-3.91		Relay (1.0) Calculated Property
logPoct/wat	3.853		Crippen Calculated Property
McVol	343.160	ml/mol	McGowan Calculated Property
Pc	1057.57	kPa	Joback Calculated Property
Inp	[2684.00; 2684.00]
Inp	2684.00		NIST
Inp	2684.00		NIST
Tboil	639.56	K	Relay (1.0) Calculated Property
Tc	831.51	K	Relay (1.0) Calculated Property
Tfus	300.11	K	Relay (1.0) Calculated Property
Vc	1.309	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1140.31; 1226.42]	J/mol×K	[910.77; 1115.25]
Cp,gas	1140.31	J/mol×K	910.77	Joback Calculated Property
Cp,gas	1157.83	J/mol×K	944.85	Joback Calculated Property
Cp,gas	1174.02	J/mol×K	978.93	Joback Calculated Property
Cp,gas	1188.94	J/mol×K	1013.01	Joback Calculated Property
Cp,gas	1202.62	J/mol×K	1047.09	Joback Calculated Property
Cp,gas	1215.10	J/mol×K	1081.17	Joback Calculated Property
Cp,gas	1226.42	J/mol×K	1115.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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