Chemical Properties of Acrylylglycine, methyl ester

InChI

InChI=1S/C6H9NO3/c1-3-5(8)7-4-6(9)10-2/h3H,1,4H2,2H3,(H,7,8)

InChI Key

GPXGYCOUOXWPOW-UHFFFAOYSA-N

Formula

C6H9NO3

SMILES

C=CC(=O)NCC(=O)OC

Molecular Weight¹

143.14

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.5362		Relay (1.0) Calculated Property
ΔfH°gas	-466.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.08	kJ/mol	Joback Calculated Property
ΔvapH°	63.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.46	eV	Relay (1.0) Calculated Property
log10WS	-0.49		Relay (1.0) Calculated Property
logPoct/wat	-0.538		Crippen Calculated Property
McVol	110.090	ml/mol	McGowan Calculated Property
Pc	3581.35	kPa	Joback Calculated Property
Inp	[1170.00; 1170.00]
Inp	1170.00		NIST
Inp	1170.00		NIST
Tboil	491.51	K	Relay (1.0) Calculated Property
Tc	683.73	K	Relay (1.0) Calculated Property
Tfus	295.66	K	Relay (1.0) Calculated Property
Vc	0.398	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[156.40; 334.38]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.60010e+01
Coefficient B			5.47220e-01
Coefficient C			-2.60800e-04
Coefficient D			2.19600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.40	J/mol×K	273.00	Calculated Property
Cp,gas	187.93	J/mol×K	353.78	Calculated Property
Cp,gas	216.35	J/mol×K	434.56	Calculated Property
Cp,gas	241.75	J/mol×K	515.33	Calculated Property
Cp,gas	264.18	J/mol×K	596.11	Calculated Property
Cp,gas	283.73	J/mol×K	676.89	Calculated Property
Cp,gas	300.45	J/mol×K	757.67	Calculated Property
Cp,gas	314.42	J/mol×K	838.44	Calculated Property
Cp,gas	325.71	J/mol×K	919.22	Calculated Property
Cp,gas	334.38	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acrylylglycine, methyl ester.

Sources

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

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