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

• 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.
• 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
ΔfG°	-162.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-274.11	kJ/mol	Joback Calculated Property
ΔfusH°	11.69	kJ/mol	Joback Calculated Property
ΔvapH°	35.84	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	3906.25	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	394.25	K	Joback Calculated Property
Tc	582.22	K	Joback Calculated Property
Tfus	213.19	K	Joback Calculated Property
Vc	0.320	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.24; 192.07]	J/mol×K	[394.25; 582.22]
Cp,gas	148.24	J/mol×K	394.25	Joback Calculated Property
Cp,gas	156.32	J/mol×K	425.58	Joback Calculated Property
Cp,gas	164.08	J/mol×K	456.91	Joback Calculated Property
Cp,gas	171.53	J/mol×K	488.23	Joback Calculated Property
Cp,gas	178.67	J/mol×K	519.56	Joback Calculated Property
Cp,gas	185.52	J/mol×K	550.89	Joback Calculated Property
Cp,gas	192.07	J/mol×K	582.22	Joback Calculated Property
η	[0.0002253; 0.0025463]	Pa×s	[213.19; 394.25]
η	0.0025463	Pa×s	213.19	Joback Calculated Property
η	0.0013230	Pa×s	243.37	Joback Calculated Property
η	0.0007942	Pa×s	273.54	Joback Calculated Property
η	0.0005276	Pa×s	303.72	Joback Calculated Property
η	0.0003774	Pa×s	333.90	Joback Calculated Property
η	0.0002854	Pa×s	364.07	Joback Calculated Property
η	0.0002253	Pa×s	394.25	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.61]	kPa	[293.62; 387.80]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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