Chemical Properties of Isopentyl 3-hydroxy-2-methylenebutanoate (CAS 80758-72-1)

InChI

InChI=1S/C10H18O3/c1-7(2)5-6-13-10(12)8(3)9(4)11/h7,9,11H,3,5-6H2,1-2,4H3

InChI Key

URBTVTZTLQVLCO-UHFFFAOYSA-N

Formula

C10H18O3

SMILES

C=C(C(=O)OCCC(C)C)C(C)O

Molecular Weight¹

186.25

CAS

80758-72-1

• 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_np : Non-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°	-263.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-541.68	kJ/mol	Joback Calculated Property
ΔfusH°	18.89	kJ/mol	Joback Calculated Property
ΔvapH°	62.32	kJ/mol	Joback Calculated Property
log10WS	-1.86		Crippen Calculated Property
logPoct/wat	1.513		Crippen Calculated Property
McVol	160.770	ml/mol	McGowan Calculated Property
Pc	2558.51	kPa	Joback Calculated Property
Inp	[1282.90; 1282.90]
Inp	1282.90		NIST
Inp	1282.90		NIST
Tboil	592.35	K	Joback Calculated Property
Tc	769.87	K	Joback Calculated Property
Tfus	289.72	K	Joback Calculated Property
Vc	0.609	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[408.31; 474.46]	J/mol×K	[592.35; 769.87]
Cp,gas	408.31	J/mol×K	592.35	Joback Calculated Property
Cp,gas	420.69	J/mol×K	621.94	Joback Calculated Property
Cp,gas	432.51	J/mol×K	651.52	Joback Calculated Property
Cp,gas	443.79	J/mol×K	681.11	Joback Calculated Property
Cp,gas	454.54	J/mol×K	710.70	Joback Calculated Property
Cp,gas	464.76	J/mol×K	740.29	Joback Calculated Property
Cp,gas	474.46	J/mol×K	769.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isopentyl 3-hydroxy-2-methylenebutanoate.

Sources

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

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