Chemical Properties of 2-Butenoic acid, 1-methylethyl ester (CAS 18060-77-0)

InChI

InChI=1S/C7H12O2/c1-4-5-7(8)9-6(2)3/h4-6H,1-3H3/b5-4+

InChI Key

AABBHSMFGKYLKE-SNAWJCMRSA-N

Formula

C7H12O2

SMILES

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

Molecular Weight¹

128.17

CAS

18060-77-0

Other Names

• Crotonic acid, isopropyl ester
• Isopropyl crotonate
• Isopropyl 2-butenoate
• (E)-2-Butenoic acid isopropyl ester
• CH3CH=CHC(O)OCH(CH3)2
• Crotonic acid, isopropyl ester, trans

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4012.50 ± 2.50	kJ/mol	NIST
ΔfH°gas	-411.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-457.00 ± 3.00	kJ/mol	NIST
ΔfusH°	14.93	kJ/mol	Joback Calculated Property
ΔvapH°	[46.00; 46.00]	kJ/mol
ΔvapH°	46.00 ± 1.00	kJ/mol	NIST
ΔvapH°	46.00	kJ/mol	NIST
IE	9.92	eV	Relay (1.0) Calculated Property
log10WS	-1.96		Relay (1.0) Calculated Property
logPoct/wat	1.514		Crippen Calculated Property
McVol	112.630	ml/mol	McGowan Calculated Property
Pc	3002.44	kPa	Joback Calculated Property
Inp	[863.00; 864.00]
Inp	864.00		NIST
Inp	863.00		NIST
Inp	863.00		NIST
Inp	863.00		NIST
Tboil	385.50	K	Relay (1.0) Calculated Property
Tc	588.38	K	Relay (1.0) Calculated Property
Tfus	221.76	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.45; 279.72]	J/mol×K	[421.70; 607.31]
Cp,gas	218.45	J/mol×K	421.70	Joback Calculated Property
Cp,gas	229.89	J/mol×K	452.63	Joback Calculated Property
Cp,gas	240.83	J/mol×K	483.57	Joback Calculated Property
Cp,gas	251.27	J/mol×K	514.50	Joback Calculated Property
Cp,gas	261.23	J/mol×K	545.44	Joback Calculated Property
Cp,gas	270.71	J/mol×K	576.37	Joback Calculated Property
Cp,gas	279.72	J/mol×K	607.31	Joback Calculated Property
η	[0.0002010; 0.0103104]	Pa×s	[190.90; 421.70]
η	0.0103104	Pa×s	190.90	Joback Calculated Property
η	0.0030853	Pa×s	229.37	Joback Calculated Property
η	0.0013057	Pa×s	267.83	Joback Calculated Property
η	0.0006858	Pa×s	306.30	Joback Calculated Property
η	0.0004158	Pa×s	344.77	Joback Calculated Property
η	0.0002788	Pa×s	383.23	Joback Calculated Property
η	0.0002010	Pa×s	421.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Butenoic acid, 1-methylethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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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