Chemical Properties of (E)-2-Butenoic acid propyl ester (CAS 10352-87-1)

InChI

InChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+

InChI Key

ZHDCHCTZRODSEN-HWKANZROSA-N

Formula

C7H12O2

SMILES

CC=CC(=O)OCCC

Molecular Weight¹

128.17

CAS

10352-87-1

Other Names

• 2-Butenoic acid, propyl ester
• Crotonic acid, propyl ester
• Propyl crotonate
• Propyl 2-butenoate

• 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	-4026.30 ± 2.50	kJ/mol	NIST
ΔfH°gas	-395.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-443.00 ± 3.00	kJ/mol	NIST
ΔfusH°	18.46	kJ/mol	Joback Calculated Property
ΔvapH°	[48.00; 48.00]	kJ/mol
ΔvapH°	48.00 ± 1.00	kJ/mol	NIST
ΔvapH°	48.00	kJ/mol	NIST
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	-2.01		Relay (1.0) Calculated Property
logPoct/wat	1.516		Crippen Calculated Property
McVol	112.630	ml/mol	McGowan Calculated Property
Pc	2976.29	kPa	Joback Calculated Property
Inp	[917.00; 922.00]
Inp	Outlier 922.00		NIST
Inp	917.00		NIST
Inp	917.00		NIST
Inp	917.00		NIST
Inp	917.00		NIST
Inp	917.00		NIST
Tboil	421.75	K	Relay (1.0) Calculated Property
Tc	611.59	K	Relay (1.0) Calculated Property
Tfus	208.11	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	[218.41; 278.03]	J/mol×K	[422.14; 603.55]
Cp,gas	218.41	J/mol×K	422.14	Joback Calculated Property
Cp,gas	229.50	J/mol×K	452.37	Joback Calculated Property
Cp,gas	240.13	J/mol×K	482.61	Joback Calculated Property
Cp,gas	250.28	J/mol×K	512.84	Joback Calculated Property
Cp,gas	259.97	J/mol×K	543.08	Joback Calculated Property
Cp,gas	269.22	J/mol×K	573.31	Joback Calculated Property
Cp,gas	278.03	J/mol×K	603.55	Joback Calculated Property
η	[0.0002095; 0.0058088]	Pa×s	[205.90; 422.14]
η	0.0058088	Pa×s	205.90	Joback Calculated Property
η	0.0022104	Pa×s	241.94	Joback Calculated Property
η	0.0010806	Pa×s	277.98	Joback Calculated Property
η	0.0006226	Pa×s	314.02	Joback Calculated Property
η	0.0004018	Pa×s	350.06	Joback Calculated Property
η	0.0002814	Pa×s	386.10	Joback Calculated Property
η	0.0002095	Pa×s	422.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-2-Butenoic acid propyl 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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