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

• 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).
• 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 : 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°	-154.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-294.75	kJ/mol	Joback Calculated Property
ΔfusH°	14.28	kJ/mol	Joback Calculated Property
ΔvapH°	38.06	kJ/mol	Joback Calculated Property
log10WS	-1.05		Crippen Calculated Property
logPoct/wat	1.126		Crippen Calculated Property
McVol	98.540	ml/mol	McGowan Calculated Property
Pc	3670.80	kPa	Develop...
I	[1166.00; 1166.00]
I	1166.00		NIST
I	1166.00		NIST
Tboil	417.13	K	Joback Calculated Property
Tc	603.73	K	Joback Calculated Property
Tfus	224.46	K	Joback Calculated Property
Vc	0.376	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.29; 235.63]	J/mol×K	[417.13; 603.73]
Cp,gas	184.29	J/mol×K	417.13	Joback Calculated Property
Cp,gas	193.78	J/mol×K	448.23	Joback Calculated Property
Cp,gas	202.88	J/mol×K	479.33	Joback Calculated Property
Cp,gas	211.61	J/mol×K	510.43	Joback Calculated Property
Cp,gas	219.98	J/mol×K	541.53	Joback Calculated Property
Cp,gas	227.98	J/mol×K	572.63	Joback Calculated Property
Cp,gas	235.63	J/mol×K	603.73	Joback Calculated Property
η	[0.0002255; 0.0027763]	Pa×s	[224.46; 417.13]
η	0.0027763	Pa×s	224.46	Joback Calculated Property
η	0.0014062	Pa×s	256.57	Joback Calculated Property
η	0.0008286	Pa×s	288.68	Joback Calculated Property
η	0.0005428	Pa×s	320.80	Joback Calculated Property
η	0.0003840	Pa×s	352.91	Joback Calculated Property
η	0.0002879	Pa×s	385.02	Joback Calculated Property
η	0.0002255	Pa×s	417.13	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[309.60; 441.50]	The Yaw...
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

• 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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