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

InChI

InChI=1S/C20H37NO3/c1-5-6-7-8-9-10-11-12-13-14-15-24-20(23)17-21(4)19(22)16-18(2)3/h16H,5-15,17H2,1-4H3

InChI Key

ATNQMUUQFMEQGU-UHFFFAOYSA-N

Formula

C20H37NO3

SMILES

CCCCCCCCCCCCOC(=O)CN(C)C(=O)C=C(C)C

Molecular Weight¹

339.51

• 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	0.9670		Relay (1.0) Calculated Property
ΔfG°	-62.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-768.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.85	kJ/mol	Joback Calculated Property
ΔvapH°	101.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-5.11		Relay (1.0) Calculated Property
logPoct/wat	4.875		Crippen Calculated Property
McVol	307.350	ml/mol	McGowan Calculated Property
Pc	1130.62	kPa	Joback Calculated Property
Inp	[2503.00; 2503.00]
Inp	2503.00		NIST
Inp	2503.00		NIST
Tboil	611.53	K	Relay (1.0) Calculated Property
Tc	810.72	K	Relay (1.0) Calculated Property
Tfus	309.80	K	Relay (1.0) Calculated Property
Vc	1.162	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[955.21; 1050.18]	J/mol×K	[803.64; 989.00]
Cp,gas	955.21	J/mol×K	803.64	Joback Calculated Property
Cp,gas	973.35	J/mol×K	834.53	Joback Calculated Property
Cp,gas	990.50	J/mol×K	865.43	Joback Calculated Property
Cp,gas	1006.72	J/mol×K	896.32	Joback Calculated Property
Cp,gas	1022.04	J/mol×K	927.21	Joback Calculated Property
Cp,gas	1036.51	J/mol×K	958.10	Joback Calculated Property
Cp,gas	1050.18	J/mol×K	989.00	Joback Calculated Property

Similar Compounds

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

Sources

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

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