Chemical Properties of methyl 4-hydroxy-3-methyl-2-pentenoate (CAS 102539-97-9)

InChI

InChI=1S/C7H12O3/c1-5(6(2)8)4-7(9)10-3/h4,6,8H,1-3H3/b5-4+

InChI Key

HIPRDLZWAASLOU-SNAWJCMRSA-N

Formula

C7H12O3

SMILES

COC(=O)C=C(C)C(C)O

Molecular Weight¹

144.17

CAS

102539-97-9

• 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).
• 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).
• 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°	-293.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-482.69	kJ/mol	Joback Calculated Property
ΔfusH°	16.13	kJ/mol	Joback Calculated Property
ΔvapH°	56.66	kJ/mol	Joback Calculated Property
log10WS	-0.84		Crippen Calculated Property
logPoct/wat	0.486		Crippen Calculated Property
McVol	118.500	ml/mol	McGowan Calculated Property
Pc	3513.74	kPa	Joback Calculated Property
I	[1984.00; 1984.00]
I	1984.00		NIST
I	1984.00		NIST
Tboil	531.63	K	Joback Calculated Property
Tc	714.80	K	Joback Calculated Property
Tfus	267.59	K	Joback Calculated Property
Vc	0.446	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[269.97; 321.86]	J/mol×K	[531.63; 714.80]
Cp,gas	269.97	J/mol×K	531.63	Joback Calculated Property
Cp,gas	279.67	J/mol×K	562.16	Joback Calculated Property
Cp,gas	288.94	J/mol×K	592.69	Joback Calculated Property
Cp,gas	297.78	J/mol×K	623.22	Joback Calculated Property
Cp,gas	306.21	J/mol×K	653.74	Joback Calculated Property
Cp,gas	314.23	J/mol×K	684.27	Joback Calculated Property
Cp,gas	321.86	J/mol×K	714.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to methyl 4-hydroxy-3-methyl-2-pentenoate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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