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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-659.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.48	kJ/mol	Joback Calculated Property
ΔvapH°	70.01	kJ/mol	Relay (1.0) Calculated Property
log10WS	-1.43		Relay (1.0) Calculated Property
logPoct/wat	1.513		Crippen Calculated Property
McVol	160.770	ml/mol	McGowan Calculated Property
Pc	2455.60	kPa	Joback Calculated Property
Inp	[1282.90; 1282.90]
Inp	1282.90		NIST
Inp	1282.90		NIST
Tboil	491.11	K	Relay (1.0) Calculated Property
Tc	680.18	K	Relay (1.0) Calculated Property
Tfus	277.45	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[403.71; 470.80]	J/mol×K	[574.48; 749.53]
Cp,gas	403.71	J/mol×K	574.48	Joback Calculated Property
Cp,gas	416.32	J/mol×K	603.66	Joback Calculated Property
Cp,gas	428.34	J/mol×K	632.83	Joback Calculated Property
Cp,gas	439.79	J/mol×K	662.01	Joback Calculated Property
Cp,gas	450.67	J/mol×K	691.18	Joback Calculated Property
Cp,gas	461.01	J/mol×K	720.36	Joback Calculated Property
Cp,gas	470.80	J/mol×K	749.53	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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