Chemical Properties of Crotonic acid (CAS 3724-65-0)

InChI

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

InChI Key

LDHQCZJRKDOVOX-UHFFFAOYSA-N

Formula

C4H6O2

SMILES

CC=CC(=O)O

Molecular Weight¹

86.09

CAS

3724-65-0

Other Names

• .alpha.-butenoic acid
• 2-Butenoic acid
• 2-butenoic acid (isomer not specified)
• 3-Methylacrylic acid
• Acrylic acid, 3-methyl-
• But-2-enoic acid
• CH3CH=CHCOOH
• Kyselina krotonova
• NSC 206946
• UN 2823
• butenoic acid
• «alpha»-Butenoic acid
• «alpha»-Crotonic acid
• «beta»-Methylacrylic acid
• «alpha»-Butenoic acid
• «alpha»-Crotonic acid
• «beta»-Methylacrylic acid

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• 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	0.5859		Relay (1.0) Calculated Property
ΔcH°solid	[-1999.00; -1990.80]	kJ/mol
ΔcH°solid	-1990.80 ± 1.00	kJ/mol	NIST
ΔcH°solid	-1999.00	kJ/mol	NIST
ΔfG°	-202.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-368.50 ± 1.40	kJ/mol	NIST
ΔfH°solid	-440.70 ± 1.30	kJ/mol	NIST
ΔfusH°	12.01	kJ/mol	Joback Calculated Property
ΔsubH°	[72.20; 72.20]	kJ/mol
ΔsubH°	72.20 ± 0.40	kJ/mol	NIST
ΔsubH°	72.20	kJ/mol	NIST
ΔvapH°	59.33	kJ/mol	Relay (1.0) Calculated Property
IE	10.05	eV	Relay (1.0) Calculated Property
log10WS	9.52e-03		Aq. Solubility Prediction
logPoct/wat	0.647		Crippen Calculated Property
McVol	70.360	ml/mol	McGowan Calculated Property
Pc	5138.68	kPa	Joback Calculated Property
Inp	986.00		NIST
I	[1708.00; 1773.00]
I	1708.00		NIST
I	1709.00		NIST
I	1773.00		NIST
I	1773.00		NIST
I	1744.00		NIST
I	1763.00		NIST
I	1744.00		NIST
I	1746.00		NIST
I	1708.00		NIST
Tboil	445.97	K	Relay (1.0) Calculated Property
Tc	634.42	K	Relay (1.0) Calculated Property
Tfus	[239.40; 345.00]	K
Tfus	344.80	K	Solubilities of crotonic acid in different organic solvents at severaltemperatures from (278.15 to 333.15) K
Tfus	239.40 ± 0.60	K	NIST
Tfus	345.00 ± 1.50	K	NIST
Tfus	341.00 ± 0.20	K	NIST
Vc	0.235	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[129.47; 161.26]	J/mol×K	[441.13; 623.44]
Cp,gas	129.47	J/mol×K	441.13	Joback Calculated Property
Cp,gas	135.50	J/mol×K	471.51	Joback Calculated Property
Cp,gas	141.22	J/mol×K	501.90	Joback Calculated Property
Cp,gas	146.65	J/mol×K	532.28	Joback Calculated Property
Cp,gas	151.79	J/mol×K	562.67	Joback Calculated Property
Cp,gas	156.65	J/mol×K	593.05	Joback Calculated Property
Cp,gas	161.26	J/mol×K	623.44	Joback Calculated Property
η	[0.0002256; 0.0325411]	Pa×s	[240.51; 441.13]
η	0.0325411	Pa×s	240.51	Joback Calculated Property
η	0.0085700	Pa×s	273.95	Joback Calculated Property
η	0.0030171	Pa×s	307.38	Joback Calculated Property
η	0.0013037	Pa×s	340.82	Joback Calculated Property
η	0.0006544	Pa×s	374.26	Joback Calculated Property
η	0.0003678	Pa×s	407.69	Joback Calculated Property
η	0.0002256	Pa×s	441.13	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 397.19]	kPa	[350.12; 486.29]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.77424e+01
Coefficient B			-4.90563e+03
Coefficient C			-6.90720e+01
Temperature range, min.			350.12
Temperature range, max.			486.29
Pvap	1.33	kPa	350.12	Calculated Property
Pvap	3.25	kPa	365.25	Calculated Property
Pvap	7.27	kPa	380.38	Calculated Property
Pvap	15.10	kPa	395.51	Calculated Property
Pvap	29.38	kPa	410.64	Calculated Property
Pvap	54.03	kPa	425.77	Calculated Property
Pvap	94.55	kPa	440.90	Calculated Property
Pvap	158.37	kPa	456.03	Calculated Property
Pvap	255.18	kPa	471.16	Calculated Property
Pvap	397.19	kPa	486.29	Calculated Property

Similar Compounds

Find more compounds similar to Crotonic acid.

Mixtures

• Crotonic acid + Methyl Alcohol
• Ethanol + Crotonic acid
• Isopropyl Alcohol + Crotonic acid
• 1-Butanol + Crotonic acid
• Acetonitrile + Crotonic acid
• Ethyl Acetate + Crotonic acid
• Formamide, N,N-dimethyl- + Crotonic acid
• Acetic acid + Crotonic acid

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Solubilities of crotonic acid in different organic solvents at severaltemperatures from (278.15 to 333.15) K
• Joback Method
• Aqueous Solubility Prediction Method
• 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.