Chemical Properties of isobutyl 3-hydroxybutanoate

InChI

InChI=1S/C8H16O3/c1-6(2)5-11-8(10)4-7(3)9/h6-7,9H,4-5H2,1-3H3

InChI Key

DBUHENMJXAGYNE-UHFFFAOYSA-N

Formula

C8H16O3

SMILES

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

Molecular Weight¹

160.21

Other Names

• 2-Methylpropyl 3-hydroxybutanoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• 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
ω	0.6830		Relay (1.0) Calculated Property
ΔfH°gas	-738.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.89	kJ/mol	Joback Calculated Property
ΔvapH°	64.29	kJ/mol	Relay (1.0) Calculated Property
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-0.55		Relay (1.0) Calculated Property
logPoct/wat	0.956		Crippen Calculated Property
McVol	136.890	ml/mol	McGowan Calculated Property
Pc	2850.52	kPa	Joback Calculated Property
Inp	[1091.00; 1093.00]
Inp	1091.00		NIST
Inp	1093.00		NIST
Inp	1091.00		NIST
I	[1617.00; 1633.00]
I	1633.00		NIST
I	1617.00		NIST
I	1633.00		NIST
Tboil	457.88	K	Relay (1.0) Calculated Property
Tc	648.21	K	Relay (1.0) Calculated Property
Tfus	249.56	K	Relay (1.0) Calculated Property
Vc	0.521	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[329.90; 391.67]	J/mol×K	[532.16; 704.29]
Cp,gas	329.90	J/mol×K	532.16	Joback Calculated Property
Cp,gas	341.39	J/mol×K	560.85	Joback Calculated Property
Cp,gas	352.39	J/mol×K	589.54	Joback Calculated Property
Cp,gas	362.91	J/mol×K	618.22	Joback Calculated Property
Cp,gas	372.97	J/mol×K	646.91	Joback Calculated Property
Cp,gas	382.55	J/mol×K	675.60	Joback Calculated Property
Cp,gas	391.67	J/mol×K	704.29	Joback Calculated Property
η	[0.0000986; 0.0827067]	Pa×s	[253.07; 532.16]
η	0.0827067	Pa×s	253.07	Joback Calculated Property
η	0.0112702	Pa×s	299.58	Joback Calculated Property
η	0.0026242	Pa×s	346.10	Joback Calculated Property
η	0.0008630	Pa×s	392.61	Joback Calculated Property
η	0.0003592	Pa×s	439.13	Joback Calculated Property
η	0.0001769	Pa×s	485.64	Joback Calculated Property
η	0.0000986	Pa×s	532.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to isobutyl 3-hydroxybutanoate.

Sources

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

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