Chemical Properties of 3-Butenoic acid (CAS 625-38-7)

InChI

InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)

InChI Key

PVEOYINWKBTPIZ-UHFFFAOYSA-N

Formula

C4H6O2

SMILES

C=CCC(=O)O

Molecular Weight¹

86.09

CAS

625-38-7

Other Names

• Acetic acid, ethenyl-
• CH2=CHCH2COOH
• Vinylacetic acid
• but-3-enoic acid
• «beta»-Butenoic acid
• «beta»-Butenoic acid

• 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).
• 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_boilr : Boiling point at reduced pressure (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°	-195.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-265.27	kJ/mol	Joback Calculated Property
ΔfusH°	10.52	kJ/mol	Joback Calculated Property
ΔvapH°	47.25	kJ/mol	Joback Calculated Property
IE	[9.75; 10.02]	eV
IE	9.75	eV	NIST
IE	10.02	eV	NIST
log10WS	-0.45		Crippen Calculated Property
logPoct/wat	0.647		Crippen Calculated Property
McVol	70.360	ml/mol	McGowan Calculated Property
Pc	4703.44 ± 100.00	kPa	NIST
I	1627.00		NIST
Tboil	436.20	K	NIST
Tc	644.60 ± 3.00	K	NIST
Tfus	243.83	K	Joback Calculated Property
Vc	0.266	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.77; 162.04]	J/mol×K	[433.65; 611.05]
Cp,gas	130.77	J/mol×K	433.65	Joback Calculated Property
Cp,gas	136.62	J/mol×K	463.22	Joback Calculated Property
Cp,gas	142.21	J/mol×K	492.78	Joback Calculated Property
Cp,gas	147.53	J/mol×K	522.35	Joback Calculated Property
Cp,gas	152.61	J/mol×K	551.92	Joback Calculated Property
Cp,gas	157.44	J/mol×K	581.48	Joback Calculated Property
Cp,gas	162.04	J/mol×K	611.05	Joback Calculated Property
η	[0.0002841; 0.0295733]	Pa×s	[243.83; 433.65]
η	0.0295733	Pa×s	243.83	Joback Calculated Property
η	0.0087410	Pa×s	275.47	Joback Calculated Property
η	0.0033211	Pa×s	307.10	Joback Calculated Property
η	0.0015119	Pa×s	338.74	Joback Calculated Property
η	0.0007873	Pa×s	370.38	Joback Calculated Property
η	0.0004543	Pa×s	402.01	Joback Calculated Property
η	0.0002841	Pa×s	433.65	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[338.82; 469.43]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37511e+01
Coefficient B			-2.95386e+03
Coefficient C			-1.19426e+02
Temperature range, min.			338.82
Temperature range, max.			469.43
Pvap	1.33	kPa	338.82	Calculated Property
Pvap	3.07	kPa	353.33	Calculated Property
Pvap	6.43	kPa	367.84	Calculated Property
Pvap	12.39	kPa	382.36	Calculated Property
Pvap	22.29	kPa	396.87	Calculated Property
Pvap	37.85	kPa	411.38	Calculated Property
Pvap	61.11	kPa	425.89	Calculated Property
Pvap	94.48	kPa	440.41	Calculated Property
Pvap	140.68	kPa	454.92	Calculated Property
Pvap	202.67	kPa	469.43	Calculated Property

Similar Compounds

Find more compounds similar to 3-Butenoic acid.

Sources

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

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