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

146.19

• 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 : Polar retention indices.
• T_boil : Normal Boiling Point 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	-686.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.30	kJ/mol	Joback Calculated Property
ΔvapH°	69.93	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	3166.83	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
Tfus	257.91	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[285.46; 342.49]	J/mol×K	[509.28; 682.78]
Cp,gas	285.46	J/mol×K	509.28	Joback Calculated Property
Cp,gas	296.04	J/mol×K	538.20	Joback Calculated Property
Cp,gas	306.19	J/mol×K	567.11	Joback Calculated Property
Cp,gas	315.91	J/mol×K	596.03	Joback Calculated Property
Cp,gas	325.19	J/mol×K	624.95	Joback Calculated Property
Cp,gas	334.05	J/mol×K	653.86	Joback Calculated Property
Cp,gas	342.49	J/mol×K	682.78	Joback Calculated Property
η	[0.0001200; 0.1134750]	Pa×s	[241.80; 509.28]
η	0.1134750	Pa×s	241.80	Joback Calculated Property
η	0.0148910	Pa×s	286.38	Joback Calculated Property
η	0.0033771	Pa×s	330.96	Joback Calculated Property
η	0.0010893	Pa×s	375.54	Joback Calculated Property
η	0.0004467	Pa×s	420.12	Joback Calculated Property
η	0.0002174	Pa×s	464.70	Joback Calculated Property
η	0.0001200	Pa×s	509.28	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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