Chemical Properties of 2-Pentenoic acid, 2-methyl- (CAS 3142-72-1)

InChI

InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+

InChI Key

JJYWRQLLQAKNAD-SNAWJCMRSA-N

Formula

C6H10O2

SMILES

CCC=C(C)C(=O)O

Molecular Weight¹

114.14

CAS

3142-72-1

Other Names

• 2-Methyl-2-pentenoic acid
• 2-methylpent-2-en-1-oic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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	0.5926		Relay (1.0) Calculated Property
ΔfG°	-272.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-435.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.33	kJ/mol	Joback Calculated Property
ΔvapH°	60.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.58	eV	Relay (1.0) Calculated Property
logPoct/wat	1.427		Crippen Calculated Property
McVol	98.540	ml/mol	McGowan Calculated Property
Pc	3682.02	kPa	Joback Calculated Property
Inp	[974.00; 974.00]
Inp	974.00		NIST
Inp	974.00		NIST
I	[1909.00; 1909.00]
I	1909.00		NIST
I	1909.00		NIST
Tboil	464.65	K	Relay (1.0) Calculated Property
Tc	667.12	K	Relay (1.0) Calculated Property
Tfus	329.44	K	Relay (1.0) Calculated Property
Vc	0.358	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.35; 258.04]	J/mol×K	[486.43; 688.23]
Cp,gas	208.35	J/mol×K	486.43	Joback Calculated Property
Cp,gas	217.92	J/mol×K	520.06	Joback Calculated Property
Cp,gas	226.94	J/mol×K	553.70	Joback Calculated Property
Cp,gas	235.43	J/mol×K	587.33	Joback Calculated Property
Cp,gas	243.42	J/mol×K	620.97	Joback Calculated Property
Cp,gas	250.95	J/mol×K	654.60	Joback Calculated Property
Cp,gas	258.04	J/mol×K	688.23	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[362.00; 521.71]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43961e+01
Coefficient B			-4.07452e+03
Coefficient C			-7.32000e+01
Temperature range, min.			362.00
Temperature range, max.			521.71
Pvap	1.33	kPa	362.00	Calculated Property
Pvap	3.02	kPa	379.75	Calculated Property
Pvap	6.24	kPa	397.49	Calculated Property
Pvap	11.98	kPa	415.24	Calculated Property
Pvap	21.57	kPa	432.98	Calculated Property
Pvap	36.72	kPa	450.73	Calculated Property
Pvap	59.62	kPa	468.47	Calculated Property
Pvap	92.84	kPa	486.22	Calculated Property
Pvap	139.39	kPa	503.96	Calculated Property
Pvap	202.65	kPa	521.71	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentenoic acid, 2-methyl-.

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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