Chemical Properties of methyl 3-hydroxyisovalerate

InChI

InChI=1S/C8H14O4/c1-6(9)12-8(2,3)5-7(10)11-4/h5H2,1-4H3

InChI Key

OORCPKWHUGCFTN-UHFFFAOYSA-N

Formula

C8H14O4

SMILES

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

Molecular Weight¹

174.20

• 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).
• 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	-848.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.80	kJ/mol	Joback Calculated Property
ΔvapH°	62.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.70	eV	Relay (1.0) Calculated Property
logPoct/wat	0.891		Crippen Calculated Property
McVol	138.460	ml/mol	McGowan Calculated Property
Pc	2611.07	kPa	Joback Calculated Property
I	[1642.00; 1642.00]
I	1642.00		NIST
I	1642.00		NIST
Tboil	451.44	K	Relay (1.0) Calculated Property
Tfus	224.92	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[316.98; 384.75]	J/mol×K	[495.85; 684.68]
Cp,gas	316.98	J/mol×K	495.85	Joback Calculated Property
Cp,gas	329.87	J/mol×K	527.32	Joback Calculated Property
Cp,gas	342.11	J/mol×K	558.79	Joback Calculated Property
Cp,gas	353.72	J/mol×K	590.26	Joback Calculated Property
Cp,gas	364.68	J/mol×K	621.74	Joback Calculated Property
Cp,gas	375.03	J/mol×K	653.21	Joback Calculated Property
Cp,gas	384.75	J/mol×K	684.68	Joback Calculated Property
η	[0.0001956; 0.0071711]	Pa×s	[267.00; 495.85]
η	0.0071711	Pa×s	267.00	Joback Calculated Property
η	0.0027036	Pa×s	305.14	Joback Calculated Property
η	0.0012660	Pa×s	343.28	Joback Calculated Property
η	0.0006900	Pa×s	381.42	Joback Calculated Property
η	0.0004199	Pa×s	419.57	Joback Calculated Property
η	0.0002776	Pa×s	457.71	Joback Calculated Property
η	0.0001956	Pa×s	495.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to methyl 3-hydroxyisovalerate.

Sources

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

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