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

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-188.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-320.04	kJ/mol	Joback Calculated Property
ΔfusH°	13.66	kJ/mol	Joback Calculated Property
ΔvapH°	51.94	kJ/mol	Joback Calculated Property
log10WS	-1.05		Crippen Calculated Property
logPoct/wat	1.283		Crippen Calculated Property
McVol	98.540	ml/mol	McGowan Calculated Property
Pc	4010.84	kPa	Joback Calculated Property
I	[1924.00; 1924.00]
I	1924.00		NIST
I	1924.00		NIST
Tboil	486.45	K	Joback Calculated Property
Tc	669.30	K	Joback Calculated Property
Tfus	248.05	K	Joback Calculated Property
Vc	0.370	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.34; 252.21]	J/mol×K	[486.45; 669.30]
Cp,gas	206.34	J/mol×K	486.45	Joback Calculated Property
Cp,gas	215.01	J/mol×K	516.92	Joback Calculated Property
Cp,gas	223.25	J/mol×K	547.40	Joback Calculated Property
Cp,gas	231.07	J/mol×K	577.87	Joback Calculated Property
Cp,gas	238.49	J/mol×K	608.35	Joback Calculated Property
Cp,gas	245.53	J/mol×K	638.82	Joback Calculated Property
Cp,gas	252.21	J/mol×K	669.30	Joback Calculated Property
η	[0.0001605; 0.0452390]	Pa×s	[248.05; 486.45]
η	0.0452390	Pa×s	248.05	Joback Calculated Property
η	0.0092323	Pa×s	287.78	Joback Calculated Property
η	0.0027706	Pa×s	327.52	Joback Calculated Property
η	0.0010788	Pa×s	367.25	Joback Calculated Property
η	0.0005050	Pa×s	406.98	Joback Calculated Property
η	0.0002706	Pa×s	446.72	Joback Calculated Property
η	0.0001605	Pa×s	486.45	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[359.72; 522.56]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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