Chemical Properties of 2-Butenoic acid, methyl ester, (Z)- (CAS 4358-59-2)

InChI

InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3-

InChI Key

MCVVUJPXSBQTRZ-ARJAWSKDSA-N

Formula

C5H8O2

SMILES

CC=CC(=O)OC

Molecular Weight¹

100.12

CAS

4358-59-2

Other Names

• Crotonic acid, methyl ester, (Z)-
• Methyl (Z)-2-butenoate
• Methyl cis-2-butenoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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	0.3629		Relay (1.0) Calculated Property
ΔfH°gas	-334.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.28	kJ/mol	Joback Calculated Property
ΔvapH°	40.78	kJ/mol	Relay (1.0) Calculated Property
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-1.05		Relay (1.0) Calculated Property
logPoct/wat	0.735		Crippen Calculated Property
McVol	84.450	ml/mol	McGowan Calculated Property
Pc	3713.49	kPa	Joback Calculated Property
Inp	[726.00; 735.00]
Inp	726.00		NIST
Inp	735.00		NIST
Inp	726.00		NIST
I	[1032.00; 1032.00]
I	1032.00		NIST
I	1032.00		NIST
Tboil	380.11	K	Relay (1.0) Calculated Property
Tc	582.40	K	Relay (1.0) Calculated Property
Tfus	233.02	K	Relay (1.0) Calculated Property
Vc	0.305	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	[113.89; 254.81]	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			9.57000e+00
Coefficient B			4.44040e-01
Coefficient C			-2.37400e-04
Coefficient D			3.86000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	113.89	J/mol×K	273.00	Calculated Property
Cp,gas	138.66	J/mol×K	353.78	Calculated Property
Cp,gas	160.87	J/mol×K	434.56	Calculated Property
Cp,gas	180.64	J/mol×K	515.33	Calculated Property
Cp,gas	198.08	J/mol×K	596.11	Calculated Property
Cp,gas	213.34	J/mol×K	676.89	Calculated Property
Cp,gas	226.51	J/mol×K	757.67	Calculated Property
Cp,gas	237.73	J/mol×K	838.44	Calculated Property
Cp,gas	247.13	J/mol×K	919.22	Calculated Property
Cp,gas	254.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053690; 0.0001922]	Pa×s	[183.36; 392.00]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.14837e+01
Coefficient B			1.14720e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			183.36
Temperature range, max.			392.00
η	0.0053690	Pa×s	183.36	Calculated Property
η	0.0026602	Pa×s	206.54	Calculated Property
η	0.0015188	Pa×s	229.73	Calculated Property
η	0.0009609	Pa×s	252.91	Calculated Property
η	0.0006566	Pa×s	276.09	Calculated Property
η	0.0004759	Pa×s	299.27	Calculated Property
η	0.0003612	Pa×s	322.46	Calculated Property
η	0.0002846	Pa×s	345.64	Calculated Property
η	0.0002310	Pa×s	368.82	Calculated Property
η	0.0001922	Pa×s	392.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.61]	kPa	[293.62; 387.80]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.83123e+01
Coefficient B			-4.39316e+03
Coefficient C			-4.98900e+01
Temperature range, min.			293.62
Temperature range, max.			387.80
Pvap	1.33	kPa	293.62	Calculated Property
Pvap	2.80	kPa	304.08	Calculated Property
Pvap	5.55	kPa	314.55	Calculated Property
Pvap	10.43	kPa	325.01	Calculated Property
Pvap	18.72	kPa	335.48	Calculated Property
Pvap	32.24	kPa	345.94	Calculated Property
Pvap	53.50	kPa	356.41	Calculated Property
Pvap	85.88	kPa	366.87	Calculated Property
Pvap	133.73	kPa	377.34	Calculated Property
Pvap	202.61	kPa	387.80	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butenoic acid, methyl ester, (Z)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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