Chemical Properties of Sarcosine, N-(cyclopentylcarbonyl)-, heptyl ester

InChI

InChI=1S/C16H29NO3/c1-3-4-5-6-9-12-20-15(18)13-17(2)16(19)14-10-7-8-11-14/h14H,3-13H2,1-2H3

InChI Key

ILJJEUUXNZTAGL-UHFFFAOYSA-N

Formula

C16H29NO3

SMILES

CCCCCCCOC(=O)CN(C)C(=O)C1CCCC1

Molecular Weight¹

283.41

• 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	0.7875		Relay (1.0) Calculated Property
ΔfG°	-131.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-720.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.54	kJ/mol	Joback Calculated Property
ΔvapH°	88.07	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-3.26		Relay (1.0) Calculated Property
logPoct/wat	3.149		Crippen Calculated Property
McVol	244.430	ml/mol	McGowan Calculated Property
Pc	1643.09	kPa	Joback Calculated Property
Inp	[2151.00; 2151.00]
Inp	2151.00		NIST
Inp	2151.00		NIST
Tboil	601.91	K	Relay (1.0) Calculated Property
Tc	806.91	K	Relay (1.0) Calculated Property
Tfus	297.68	K	Relay (1.0) Calculated Property
Vc	0.913	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[736.77; 831.09]	J/mol×K	[723.36; 914.29]
Cp,gas	736.77	J/mol×K	723.36	Joback Calculated Property
Cp,gas	755.02	J/mol×K	755.18	Joback Calculated Property
Cp,gas	772.21	J/mol×K	787.00	Joback Calculated Property
Cp,gas	788.38	J/mol×K	818.82	Joback Calculated Property
Cp,gas	803.56	J/mol×K	850.64	Joback Calculated Property
Cp,gas	817.78	J/mol×K	882.47	Joback Calculated Property
Cp,gas	831.09	J/mol×K	914.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(cyclopentylcarbonyl)-, heptyl ester.

Sources

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

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