Chemical Properties of Methyl 3-butenoate (CAS 3724-55-8)

InChI

InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3H,1,4H2,2H3

InChI Key

GITITJADGZYSRL-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

C=CCC(=O)OC

Molecular Weight¹

100.12

CAS

3724-55-8

Other Names

• 3-Butenoic acid, methyl ester
• CH2=CHCH2C(O)OCH3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• P_vap : Vapor 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
ΔfG°	-154.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-265.90	kJ/mol	Joback Calculated Property
ΔfusH°	10.21	kJ/mol	Joback Calculated Property
ΔvapH°	35.21	kJ/mol	Joback Calculated Property
log10WS	-0.63		Crippen Calculated Property
logPoct/wat	0.735		Crippen Calculated Property
McVol	84.450	ml/mol	McGowan Calculated Property
Pc	3857.88	kPa	Joback Calculated Property
Inp	[692.00; 718.00]
Inp	692.00		NIST
Inp	693.00		NIST
Inp	718.00		NIST
Inp	710.00		NIST
Inp	718.00		NIST
Tboil	386.77	K	Joback Calculated Property
Tc	569.17	K	Joback Calculated Property
Tfus	216.51	K	Joback Calculated Property
Vc	0.321	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.35; 191.98]	J/mol×K	[386.77; 569.17]
Cp,gas	149.35	J/mol×K	386.77	Joback Calculated Property
Cp,gas	157.10	J/mol×K	417.17	Joback Calculated Property
Cp,gas	164.59	J/mol×K	447.57	Joback Calculated Property
Cp,gas	171.82	J/mol×K	477.97	Joback Calculated Property
Cp,gas	178.80	J/mol×K	508.37	Joback Calculated Property
Cp,gas	185.52	J/mol×K	538.77	Joback Calculated Property
Cp,gas	191.98	J/mol×K	569.17	Joback Calculated Property
η	[0.0002673; 0.0024241]	Pa×s	[216.51; 386.77]
η	0.0024241	Pa×s	216.51	Joback Calculated Property
η	0.0013568	Pa×s	244.89	Joback Calculated Property
η	0.0008567	Pa×s	273.26	Joback Calculated Property
η	0.0005898	Pa×s	301.64	Joback Calculated Property
η	0.0004330	Pa×s	330.02	Joback Calculated Property
η	0.0003338	Pa×s	358.39	Joback Calculated Property
η	0.0002673	Pa×s	386.77	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[288.82; 389.28]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.73439e+01
Coefficient B			-4.10370e+03
Coefficient C			-4.82220e+01
Temperature range, min.			288.82
Temperature range, max.			389.28
Pvap	1.33	kPa	288.82	Calculated Property
Pvap	2.84	kPa	299.98	Calculated Property
Pvap	5.67	kPa	311.14	Calculated Property
Pvap	10.71	kPa	322.31	Calculated Property
Pvap	19.25	kPa	333.47	Calculated Property
Pvap	33.09	kPa	344.63	Calculated Property
Pvap	54.68	kPa	355.79	Calculated Property
Pvap	87.25	kPa	366.96	Calculated Property
Pvap	134.89	kPa	378.12	Calculated Property
Pvap	202.67	kPa	389.28	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 3-butenoate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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