Chemical Properties of 2-Butenoic acid, 3-methyl-, methyl ester (CAS 924-50-5)

InChI

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

InChI Key

FZIBCCGGICGWBP-UHFFFAOYSA-N

Formula

C6H10O2

SMILES

COC(=O)C=C(C)C

Molecular Weight¹

114.14

CAS

924-50-5

Other Names

• 3-Methyl-2-butenoic acid, methyl ester
• 3-Methylcrotonic acid methyl ester
• Crotonic acid, 3-methyl-, methyl ester
• Methyl 3,3-dimethacrylate
• Methyl 3,3-dimethylacrylate
• Methyl 3-methyl-2-butenoate
• Methyl 3-methylbut-2-enoate
• Methyl 3-methylcrotonate
• Methyl senecioate
• Methyl «beta»-methylcrotonate
• Methyl «beta»-methylcrotonate

• 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).
• 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°	-162.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-304.54	kJ/mol	Joback Calculated Property
ΔfusH°	12.97	kJ/mol	Joback Calculated Property
ΔvapH°	46.90 ± 0.20	kJ/mol	NIST
log10WS	-1.05		Crippen 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	[831.00; 842.40]
Inp	831.00		NIST
Inp	833.00		NIST
Inp	842.40		NIST
Inp	842.00		NIST
Inp	842.00		NIST
Inp	842.00		NIST
Inp	833.00		NIST
I	[1148.00; 1184.00]
I	1155.00		NIST
I	1162.00		NIST
I	1184.00		NIST
I	1180.00		NIST
I	1148.00		NIST
I	1148.00		NIST
I	1148.00		NIST
I	1162.00		NIST
Tboil	417.01	K	Joback Calculated Property
Tc	607.33	K	Joback Calculated Property
Tfus	210.50	K	Joback Calculated Property
Vc	0.377	m3/kmol	Joback 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	[308.61; 416.95]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.70693e+01
Coefficient B			-4.25541e+03
Coefficient C			-5.50330e+01
Temperature range, min.			308.61
Temperature range, max.			416.95
Pvap	1.33	kPa	308.61	Calculated Property
Pvap	2.85	kPa	320.65	Calculated Property
Pvap	5.71	kPa	332.69	Calculated Property
Pvap	10.80	kPa	344.72	Calculated Property
Pvap	19.41	kPa	356.76	Calculated Property
Pvap	33.35	kPa	368.80	Calculated Property
Pvap	55.04	kPa	380.84	Calculated Property
Pvap	87.66	kPa	392.87	Calculated Property
Pvap	135.20	kPa	404.91	Calculated Property
Pvap	202.62	kPa	416.95	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butenoic acid, 3-methyl-, methyl ester.

Sources

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

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