Chemical Properties of Ethyl 2-butenoate (CAS 10544-63-5)

InChI

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

InChI Key

ZFDIRQKJPRINOQ-UHFFFAOYSA-N

Formula

C6H10O2

SMILES

CC=CC(=O)OCC

Molecular Weight¹

114.14

CAS

10544-63-5

Other Names

• 2-Butenoic acid, ethyl ester
• ethyl but-2-enoate
• ethyl crotonate

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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
ω	0.3965		Relay (1.0) Calculated Property
ΔfG°	-230.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-376.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.87	kJ/mol	Joback Calculated Property
ΔvapH°	44.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-1.54		Relay (1.0) Calculated Property
logPoct/wat	1.126		Crippen Calculated Property
McVol	98.540	ml/mol	McGowan Calculated Property
Pc	3314.37	kPa	Joback Calculated Property
Inp	[819.00; 863.00]
Inp	826.00		NIST
Inp	826.00		NIST
Inp	820.00		NIST
Inp	819.00		NIST
Inp	827.00		NIST
Inp	825.00		NIST
Inp	833.00		NIST
Inp	Outlier 863.00		NIST
Inp	848.00		NIST
Inp	844.00		NIST
Inp	834.00		NIST
Inp	823.00		NIST
Inp	819.00		NIST
I	[1122.00; 1194.00]
I	1172.00		NIST
I	1169.00		NIST
I	1156.00		NIST
I	1149.00		NIST
I	1165.00		NIST
I	1165.00		NIST
I	1158.00		NIST
I	1152.00		NIST
I	1153.00		NIST
I	1165.00		NIST
I	1153.00		NIST
I	1158.00		NIST
I	1158.00		NIST
I	1150.00		NIST
I	1146.00		NIST
I	Outlier 1122.00		NIST
I	1148.00		NIST
I	1161.00		NIST
I	1179.90		NIST
I	Outlier 1194.00		NIST
I	1156.00		NIST
I	1148.00		NIST
I	1164.00		NIST
I	1156.00		NIST
I	1153.00		NIST
I	1156.00		NIST
I	1152.00		NIST
I	Outlier 1122.00		NIST
Tboil	403.04	K	Relay (1.0) Calculated Property
Tc	592.33	K	Relay (1.0) Calculated Property
Tfus	217.36	K	Relay (1.0) Calculated Property
Vc	0.362	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.10; 306.40]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.66100e+00
Coefficient B			5.39040e-01
Coefficient C			-2.91800e-04
Coefficient D			5.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.10	J/mol×K	273.00	Calculated Property
Cp,gas	165.08	J/mol×K	353.78	Calculated Property
Cp,gas	191.94	J/mol×K	434.56	Calculated Property
Cp,gas	215.86	J/mol×K	515.33	Calculated Property
Cp,gas	237.00	J/mol×K	596.11	Calculated Property
Cp,gas	255.50	J/mol×K	676.89	Calculated Property
Cp,gas	271.53	J/mol×K	757.67	Calculated Property
Cp,gas	285.25	J/mol×K	838.44	Calculated Property
Cp,gas	296.82	J/mol×K	919.22	Calculated Property
Cp,gas	306.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056648; 0.0002027]	Pa×s	[194.63; 407.33]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.15515e+01
Coefficient B			1.24136e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			194.63
Temperature range, max.			407.33
η	0.0056648	Pa×s	194.63	Calculated Property
η	0.0028395	Pa×s	218.26	Calculated Property
η	0.0016290	Pa×s	241.90	Calculated Property
η	0.0010317	Pa×s	265.53	Calculated Property
η	0.0007041	Pa×s	289.17	Calculated Property
η	0.0005090	Pa×s	312.80	Calculated Property
η	0.0003852	Pa×s	336.43	Calculated Property
η	0.0003023	Pa×s	360.07	Calculated Property
η	0.0002445	Pa×s	383.70	Calculated Property
η	0.0002027	Pa×s	407.33	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[308.61; 416.95]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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 Ethyl 2-butenoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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