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

InChI

InChI=1S/C18H34N2O5/c1-5-7-9-10-11-13-24-17(22)15-19(3)16(21)14-20(4)18(23)25-12-8-6-2/h5-15H2,1-4H3

InChI Key

SFXXNTNGJDEVJC-UHFFFAOYSA-N

Formula

C18H34N2O5

SMILES

CCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCCCC

Molecular Weight¹

358.47

• 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	1.0325		Relay (1.0) Calculated Property
ΔfG°	-274.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-1076.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.59	kJ/mol	Joback Calculated Property
ΔvapH°	100.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-2.87		Relay (1.0) Calculated Property
logPoct/wat	2.827		Crippen Calculated Property
McVol	300.890	ml/mol	McGowan Calculated Property
Pc	1280.08	kPa	Joback Calculated Property
Inp	[2478.00; 2478.00]
Inp	2478.00		NIST
Inp	2478.00		NIST
Tboil	616.74	K	Relay (1.0) Calculated Property
Tc	812.98	K	Relay (1.0) Calculated Property
Tfus	286.20	K	Relay (1.0) Calculated Property
Vc	1.151	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[957.48; 1039.84]	J/mol×K	[842.57; 1033.26]
Cp,gas	957.48	J/mol×K	842.57	Joback Calculated Property
Cp,gas	973.80	J/mol×K	874.35	Joback Calculated Property
Cp,gas	989.06	J/mol×K	906.13	Joback Calculated Property
Cp,gas	1003.26	J/mol×K	937.91	Joback Calculated Property
Cp,gas	1016.44	J/mol×K	969.69	Joback Calculated Property
Cp,gas	1028.62	J/mol×K	1001.47	Joback Calculated Property
Cp,gas	1039.84	J/mol×K	1033.26	Joback Calculated Property

Similar Compounds

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

Sources

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

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