Chemical Properties of methyl 4-hydroxy-3-methylpentanoate

InChI

InChI=1S/C7H14O3/c1-5(6(2)8)4-7(9)10-3/h5-6,8H,4H2,1-3H3

InChI Key

LBRGGUAIZNMPSC-UHFFFAOYSA-N

Formula

C7H14O3

SMILES

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

Molecular Weight¹

146.18

• ω : Acentric Factor.
• 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).
• 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 : 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	0.6117		Relay (1.0) Calculated Property
ΔfG°	-367.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-686.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.71	kJ/mol	Joback Calculated Property
ΔvapH°	68.28	kJ/mol	Relay (1.0) Calculated Property
IE	9.96	eV	Relay (1.0) Calculated Property
log10WS	0.06		Relay (1.0) Calculated Property
logPoct/wat	0.566		Crippen Calculated Property
McVol	122.800	ml/mol	McGowan Calculated Property
Pc	3318.18	kPa	Joback Calculated Property
I	[1760.00; 1760.00]
I	1760.00		NIST
I	1760.00		NIST
Tboil	446.26	K	Relay (1.0) Calculated Property
Tc	640.97	K	Relay (1.0) Calculated Property
Tfus	261.02	K	Relay (1.0) Calculated Property
Vc	0.437	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[289.08; 345.13]	J/mol×K	[527.15; 703.42]
Cp,gas	289.08	J/mol×K	527.15	Joback Calculated Property
Cp,gas	299.43	J/mol×K	556.53	Joback Calculated Property
Cp,gas	309.37	J/mol×K	585.91	Joback Calculated Property
Cp,gas	318.91	J/mol×K	615.28	Joback Calculated Property
Cp,gas	328.05	J/mol×K	644.66	Joback Calculated Property
Cp,gas	336.78	J/mol×K	674.04	Joback Calculated Property
Cp,gas	345.13	J/mol×K	703.42	Joback Calculated Property
η	[0.0001175; 0.0314993]	Pa×s	[271.63; 527.15]
η	0.0314993	Pa×s	271.63	Joback Calculated Property
η	0.0065975	Pa×s	314.22	Joback Calculated Property
η	0.0020069	Pa×s	356.80	Joback Calculated Property
η	0.0007868	Pa×s	399.39	Joback Calculated Property
η	0.0003695	Pa×s	441.98	Joback Calculated Property
η	0.0001982	Pa×s	484.56	Joback Calculated Property
η	0.0001175	Pa×s	527.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to methyl 4-hydroxy-3-methylpentanoate.

Sources

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

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