Chemical Properties of 2-methyl-3-pentenoic acid (CAS 37674-63-8)

InChI

InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3+

InChI Key

NFRJJFMXYKSRPK-ONEGZZNKSA-N

Formula

C6H10O2

SMILES

CC=CC(C)C(=O)O

Molecular Weight¹

114.14

CAS

37674-63-8

Other Names

• 2-methylpent-3-en-1-oic acid

• ω : Acentric Factor.
• 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_p : 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	0.5602		Relay (1.0) Calculated Property
ΔfG°	-266.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-430.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.12	kJ/mol	Joback Calculated Property
ΔvapH°	59.23	kJ/mol	Relay (1.0) Calculated Property
IE	9.47	eV	Relay (1.0) Calculated Property
log10WS	-0.60		Relay (1.0) Calculated Property
logPoct/wat	1.283		Crippen Calculated Property
McVol	98.540	ml/mol	McGowan Calculated Property
Pc	3695.46	kPa	Joback Calculated Property
Ip	[1924.00; 1924.00]
Ip	1924.00		NIST
Ip	1924.00		NIST
Tboil	453.56	K	Relay (1.0) Calculated Property
Tc	638.37	K	Relay (1.0) Calculated Property
Tfus	277.28	K	Relay (1.0) Calculated Property
Vc	0.347	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[132.07; 309.61]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.38300e+01
Coefficient B			6.50540e-01
Coefficient C			-4.62200e-04
Coefficient D			1.35100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	132.07	J/mol×K	273.00	Calculated Property
Cp,gas	164.45	J/mol×K	353.78	Calculated Property
Cp,gas	192.67	J/mol×K	434.56	Calculated Property
Cp,gas	217.16	J/mol×K	515.33	Calculated Property
Cp,gas	238.34	J/mol×K	596.11	Calculated Property
Cp,gas	256.64	J/mol×K	676.89	Calculated Property
Cp,gas	272.49	J/mol×K	757.67	Calculated Property
Cp,gas	286.32	J/mol×K	838.44	Calculated Property
Cp,gas	298.55	J/mol×K	919.22	Calculated Property
Cp,gas	309.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020081; 0.0002395]	Pa×s	[297.90; 482.04]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.17775e+01
Coefficient B			1.65840e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			297.90
Temperature range, max.			482.04
η	0.0020081	Pa×s	297.90	Calculated Property
η	0.0014041	Pa×s	318.36	Calculated Property
η	0.0010252	Pa×s	338.82	Calculated Property
η	0.0007758	Pa×s	359.28	Calculated Property
η	0.0006050	Pa×s	379.74	Calculated Property
η	0.0004839	Pa×s	400.20	Calculated Property
η	0.0003956	Pa×s	420.66	Calculated Property
η	0.0003295	Pa×s	441.12	Calculated Property
η	0.0002789	Pa×s	461.58	Calculated Property
η	0.0002395	Pa×s	482.04	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[359.72; 522.56]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41753e+01
Coefficient B			-3.99012e+03
Coefficient C			-7.24080e+01
Temperature range, min.			359.72
Temperature range, max.			522.56
Pvap	1.33	kPa	359.72	Calculated Property
Pvap	3.04	kPa	377.81	Calculated Property
Pvap	6.30	kPa	395.91	Calculated Property
Pvap	12.11	kPa	414.00	Calculated Property
Pvap	21.80	kPa	432.09	Calculated Property
Pvap	37.09	kPa	450.19	Calculated Property
Pvap	60.10	kPa	468.28	Calculated Property
Pvap	93.37	kPa	486.37	Calculated Property
Pvap	139.80	kPa	504.47	Calculated Property
Pvap	202.63	kPa	522.56	Calculated Property

Similar Compounds

Find more compounds similar to 2-methyl-3-pentenoic acid.

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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