Chemical Properties of 2-Butenoic acid, (E)- (CAS 107-93-7)

InChI

InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+

InChI Key

LDHQCZJRKDOVOX-NSCUHMNNSA-N

Formula

C4H6O2

SMILES

CC=CC(=O)O

Molecular Weight¹

86.09

CAS

107-93-7

Other Names

• (E)-2-Butenoic acid
• (E)-CH3CH=CHCOOH
• (E)-Crotonic acid
• 2-Butenoic acid, (2E)-
• 3-Methylacrylic acid, trans
• Crotonic acid
• Crotonic acid, (E)-
• Crotonic acid, trans
• Ethylideneacetic acid, E
• NSC 8751
• trans-2-Butenoic Acid
• trans-Crotonic Acid
• «alpha»-butenoic acid, trans
• «alpha»-crotonic acid, trans
• «beta»-Methacrylic acid, trans
• «beta»-methylacrylic acid, trans

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_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 : 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
PAff	824.00	kJ/mol	NIST
BasG	793.00	kJ/mol	NIST
ΔcH°liquid	[-2085.00; -2000.00]	kJ/mol
ΔcH°liquid	-2085.00	kJ/mol	NIST
ΔcH°liquid	-2000.00	kJ/mol	NIST
ΔfH°gas	-358.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.46	kJ/mol	Joback Calculated Property
ΔvapH°	58.61	kJ/mol	Relay (1.0) Calculated Property
IE	[9.80; 10.28]	eV
IE	9.90 ± 0.10	eV	NIST
IE	9.80	eV	NIST
IE	10.08	eV	NIST
IE	9.90	eV	NIST
IE	10.28	eV	NIST
log10WS	-0.21		Relay (1.0) Calculated Property
logPoct/wat	0.647		Crippen Calculated Property
McVol	70.360	ml/mol	McGowan Calculated Property
Pc	4684.89	kPa	Joback Calculated Property
I	[1740.00; 1744.00]
I	1740.00		NIST
I	1744.00		NIST
I	1740.00		NIST
Tboil	[453.70; 458.20]	K
Tboil	453.70	K	NIST
Tboil	458.20	K	NIST
Tc	644.53	K	Relay (1.0) Calculated Property
Tfus	[344.60; 344.80]	K
Tfus	344.70 ± 1.00	K	NIST
Tfus	344.80 ± 0.60	K	NIST
Tfus	344.60 ± 0.40	K	NIST

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	[131.59; 167.04]	J/mol×K	[440.79; 643.80]
Cp,gas	131.59	J/mol×K	440.79	Joback Calculated Property
Cp,gas	138.51	J/mol×K	474.62	Joback Calculated Property
Cp,gas	144.98	J/mol×K	508.46	Joback Calculated Property
Cp,gas	151.05	J/mol×K	542.29	Joback Calculated Property
Cp,gas	156.73	J/mol×K	576.13	Joback Calculated Property
Cp,gas	162.05	J/mol×K	609.96	Joback Calculated Property
Cp,gas	167.04	J/mol×K	643.80	Joback Calculated Property
η	[0.0002540; 0.0013673]	Pa×s	[290.36; 440.79]
η	0.0013673	Pa×s	290.36	Joback Calculated Property
η	0.0009238	Pa×s	315.43	Joback Calculated Property
η	0.0006613	Pa×s	340.50	Joback Calculated Property
η	0.0004956	Pa×s	365.57	Joback Calculated Property
η	0.0003854	Pa×s	390.65	Joback Calculated Property
η	0.0003089	Pa×s	415.72	Joback Calculated Property
η	0.0002540	Pa×s	440.79	Joback Calculated Property
ΔvapH	56.70	kJ/mol	405.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.87; 236.79]	kPa	[344.55; 483.83]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.57176e+01
Coefficient B			-4.03838e+03
Coefficient C			-8.98580e+01
Temperature range, min.			344.55
Temperature range, max.			483.83
Pvap	0.87	kPa	344.55	Calculated Property
Pvap	2.16	kPa	360.03	Calculated Property
Pvap	4.85	kPa	375.50	Calculated Property
Pvap	10.04	kPa	390.98	Calculated Property
Pvap	19.33	kPa	406.45	Calculated Property
Pvap	35.04	kPa	421.93	Calculated Property
Pvap	60.21	kPa	437.40	Calculated Property
Pvap	98.81	kPa	452.88	Calculated Property
Pvap	155.72	kPa	468.35	Calculated Property
Pvap	236.79	kPa	483.83	Calculated Property
Pvap	[0.88; 4654.00]	kPa	[344.55; 666.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.03769e+02
Coefficient B			-1.09030e+04
Coefficient C			-1.24614e+01
Coefficient D			4.65069e-06
Temperature range, min.			344.55
Temperature range, max.			666.00
Pvap	0.88	kPa	344.55	Calculated Property
Pvap	5.68	kPa	380.27	Calculated Property
Pvap	24.85	kPa	415.98	Calculated Property
Pvap	81.71	kPa	451.70	Calculated Property
Pvap	216.93	kPa	487.42	Calculated Property
Pvap	489.51	kPa	523.13	Calculated Property
Pvap	974.70	kPa	558.85	Calculated Property
Pvap	1761.10	kPa	594.57	Calculated Property
Pvap	2949.36	kPa	630.28	Calculated Property
Pvap	4654.00	kPa	666.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butenoic acid, (E)-.

Sources

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

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.
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