Chemical Properties of 3-Butenoic acid, ethyl ester (CAS 1617-18-1)

InChI

InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3H,1,4-5H2,2H3

InChI Key

BFMKFCLXZSUVPI-UHFFFAOYSA-N

Formula

C6H10O2

SMILES

C=CCC(=O)OCC

Molecular Weight¹

114.14

CAS

1617-18-1

Other Names

• Ethyl 3-butenoate

• 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_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
ΔfG°	-146.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-286.54	kJ/mol	Joback Calculated Property
ΔfusH°	12.80	kJ/mol	Joback Calculated Property
ΔvapH°	37.44	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	3435.91	kPa	Joback Calculated Property
Inp	[767.00; 770.00]
Inp	770.00		NIST
Inp	767.00		NIST
Inp	770.00		NIST
I	1105.00		NIST
Tboil	409.65	K	Joback Calculated Property
Tc	590.97	K	Joback Calculated Property
Tfus	227.78	K	Joback Calculated Property
Vc	0.377	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.90; 235.15]	J/mol×K	[409.65; 590.97]
Cp,gas	184.90	J/mol×K	409.65	Joback Calculated Property
Cp,gas	194.08	J/mol×K	439.87	Joback Calculated Property
Cp,gas	202.94	J/mol×K	470.09	Joback Calculated Property
Cp,gas	211.47	J/mol×K	500.31	Joback Calculated Property
Cp,gas	219.68	J/mol×K	530.53	Joback Calculated Property
Cp,gas	227.57	J/mol×K	560.75	Joback Calculated Property
Cp,gas	235.15	J/mol×K	590.97	Joback Calculated Property
η	[0.0002688; 0.0026729]	Pa×s	[227.78; 409.65]
η	0.0026729	Pa×s	227.78	Joback Calculated Property
η	0.0014557	Pa×s	258.09	Joback Calculated Property
η	0.0009008	Pa×s	288.40	Joback Calculated Property
η	0.0006108	Pa×s	318.72	Joback Calculated Property
η	0.0004430	Pa×s	349.03	Joback Calculated Property
η	0.0003382	Pa×s	379.34	Joback Calculated Property
η	0.0002688	Pa×s	409.65	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[293.78; 421.97]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48589e+01
Coefficient B			-3.54977e+03
Coefficient C			-5.01680e+01
Temperature range, min.			293.78
Temperature range, max.			421.97
Pvap	1.33	kPa	293.78	Calculated Property
Pvap	2.98	kPa	308.02	Calculated Property
Pvap	6.13	kPa	322.27	Calculated Property
Pvap	11.73	kPa	336.51	Calculated Property
Pvap	21.10	kPa	350.75	Calculated Property
Pvap	36.00	kPa	365.00	Calculated Property
Pvap	58.66	kPa	379.24	Calculated Property
Pvap	91.76	kPa	393.48	Calculated Property
Pvap	138.53	kPa	407.73	Calculated Property
Pvap	202.64	kPa	421.97	Calculated Property

Similar Compounds

Find more compounds similar to 3-Butenoic acid, ethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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