Chemical Properties of 2-Butenoic acid, 2-methyl-, methyl ester (CAS 41725-90-0)

InChI

InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+

InChI Key

YYJWBYNQJLBIGS-SNAWJCMRSA-N

Formula

C6H10O2

SMILES

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

Molecular Weight¹

114.14

CAS

41725-90-0

Other Names

• Methyl 2-methyl-2-butenoate
• Methyl 2-methylbut-2-enoate
• Methyl 2-methylcrotonate

• 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).
• 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	0.3676		Relay (1.0) Calculated Property
ΔfG°	-162.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-367.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.97	kJ/mol	Joback Calculated Property
ΔvapH°	43.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-1.36		Relay (1.0) Calculated Property
logPoct/wat	1.126		Crippen Calculated Property
McVol	98.540	ml/mol	McGowan Calculated Property
Pc	3497.14	kPa	Joback Calculated Property
Inp	873.00		NIST
I	[1175.00; 1184.00]
I	1175.00		NIST
I	1184.00		NIST
Tboil	400.41	K	Relay (1.0) Calculated Property
Tc	590.05	K	Relay (1.0) Calculated Property
Tfus	235.76	K	Relay (1.0) Calculated Property
Vc	0.355	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.26; 236.31]	J/mol×K	[417.01; 607.33]
Cp,gas	184.26	J/mol×K	417.01	Joback Calculated Property
Cp,gas	193.90	J/mol×K	448.73	Joback Calculated Property
Cp,gas	203.14	J/mol×K	480.45	Joback Calculated Property
Cp,gas	212.00	J/mol×K	512.17	Joback Calculated Property
Cp,gas	220.47	J/mol×K	543.89	Joback Calculated Property
Cp,gas	228.57	J/mol×K	575.61	Joback Calculated Property
Cp,gas	236.31	J/mol×K	607.33	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[310.37; 416.38]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.73866e+01
Coefficient B			-4.35499e+03
Coefficient C			-5.57280e+01
Temperature range, min.			310.37
Temperature range, max.			416.38
Pvap	1.33	kPa	310.37	Calculated Property
Pvap	2.83	kPa	322.15	Calculated Property
Pvap	5.65	kPa	333.93	Calculated Property
Pvap	10.68	kPa	345.71	Calculated Property
Pvap	19.19	kPa	357.49	Calculated Property
Pvap	33.01	kPa	369.26	Calculated Property
Pvap	54.58	kPa	381.04	Calculated Property
Pvap	87.13	kPa	392.82	Calculated Property
Pvap	134.78	kPa	404.60	Calculated Property
Pvap	202.62	kPa	416.38	Calculated Property

Similar Compounds

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

Sources

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

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