Chemical Properties of ethyl trans-2-butenoate (CAS 623-70-1)

InChI

InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+

InChI Key

ZFDIRQKJPRINOQ-HWKANZROSA-N

Formula

C6H10O2

SMILES

CC=CC(=O)OCC

Molecular Weight¹

114.14

CAS

623-70-1

Other Names

• crotonic acid, ethyl ester
• ethyl crotonate
• trans-2-butenoic acid, ethyl ester

• ω : Acentric Factor.
• 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).
• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.58; 233.47]	J/mol×K	[399.26; 581.91]
Cp,gas	180.58	J/mol×K	399.26	Joback Calculated Property
Cp,gas	190.41	J/mol×K	429.70	Joback Calculated Property
Cp,gas	199.83	J/mol×K	460.14	Joback Calculated Property
Cp,gas	208.84	J/mol×K	490.58	Joback Calculated Property
Cp,gas	217.44	J/mol×K	521.02	Joback Calculated Property
Cp,gas	225.65	J/mol×K	551.47	Joback Calculated Property
Cp,gas	233.47	J/mol×K	581.91	Joback Calculated Property
η	[0.0002155; 0.0056648]	Pa×s	[194.63; 399.26]
η	0.0056648	Pa×s	194.63	Joback Calculated Property
η	0.0021886	Pa×s	228.73	Joback Calculated Property
η	0.0010823	Pa×s	262.84	Joback Calculated Property
η	0.0006292	Pa×s	296.94	Joback Calculated Property
η	0.0004090	Pa×s	331.05	Joback Calculated Property
η	0.0002882	Pa×s	365.15	Joback Calculated Property
η	0.0002155	Pa×s	399.26	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[309.60; 441.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49916e+01
Coefficient B			-3.73696e+03
Coefficient C			-5.54500e+01
Temperature range, min.			309.60
Temperature range, max.			441.50
Pvap	1.33	kPa	309.60	Calculated Property
Pvap	2.97	kPa	324.26	Calculated Property
Pvap	6.10	kPa	338.91	Calculated Property
Pvap	11.66	kPa	353.57	Calculated Property
Pvap	20.98	kPa	368.22	Calculated Property
Pvap	35.82	kPa	382.88	Calculated Property
Pvap	58.41	kPa	397.53	Calculated Property
Pvap	91.49	kPa	412.19	Calculated Property
Pvap	138.32	kPa	426.84	Calculated Property
Pvap	202.67	kPa	441.50	Calculated Property

Similar Compounds

Find more compounds similar to ethyl trans-2-butenoate.

Mixtures

• Carbon dioxide + ethyl trans-2-butenoate

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Development of a Predictive Equation of State for CO2 + Ethyl Ester Mixtures Based on Critical Points Measurements
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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