Chemical Properties of Sarcosine, N-(3-methylbut-2-enoyl)-, nonyl ester

InChI

InChI=1S/C17H31NO3/c1-5-6-7-8-9-10-11-12-21-17(20)14-18(4)16(19)13-15(2)3/h13H,5-12,14H2,1-4H3

InChI Key

LALRZVXAFXNUSH-UHFFFAOYSA-N

Formula

C17H31NO3

SMILES

CCCCCCCCCOC(=O)CN(C)C(=O)C=C(C)C

Molecular Weight¹

297.43

• 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	0.8593		Relay (1.0) Calculated Property
ΔfG°	-88.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-705.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.08	kJ/mol	Joback Calculated Property
ΔvapH°	90.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.38	eV	Relay (1.0) Calculated Property
log10WS	-4.09		Relay (1.0) Calculated Property
logPoct/wat	3.705		Crippen Calculated Property
McVol	265.080	ml/mol	McGowan Calculated Property
Pc	1386.08	kPa	Joback Calculated Property
Inp	[2196.00; 2196.00]
Inp	2196.00		NIST
Inp	2196.00		NIST
Tboil	589.62	K	Relay (1.0) Calculated Property
Tc	783.34	K	Relay (1.0) Calculated Property
Tfus	297.88	K	Relay (1.0) Calculated Property
Vc	0.996	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[778.46; 867.94]	J/mol×K	[735.00; 916.46]
Cp,gas	778.46	J/mol×K	735.00	Joback Calculated Property
Cp,gas	795.46	J/mol×K	765.24	Joback Calculated Property
Cp,gas	811.58	J/mol×K	795.49	Joback Calculated Property
Cp,gas	826.85	J/mol×K	825.73	Joback Calculated Property
Cp,gas	841.31	J/mol×K	855.98	Joback Calculated Property
Cp,gas	855.00	J/mol×K	886.22	Joback Calculated Property
Cp,gas	867.94	J/mol×K	916.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(3-methylbut-2-enoyl)-, nonyl ester.

Sources

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

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