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

174.19

• 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	0.5245		Relay (1.0) Calculated Property
ΔfG°	-448.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-848.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.64	kJ/mol	Joback Calculated Property
ΔvapH°	60.90	kJ/mol	Relay (1.0) Calculated Property
IE	9.70	eV	Relay (1.0) Calculated Property
log10WS	-0.87		Relay (1.0) Calculated Property
logPoct/wat	0.891		Crippen Calculated Property
McVol	138.460	ml/mol	McGowan Calculated Property
Pc	2844.44	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
Tc	636.37	K	Relay (1.0) Calculated Property
Tfus	230.19	K	Relay (1.0) Calculated Property
Vc	0.518	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[325.66; 390.56]	J/mol×K	[531.79; 726.31]
Cp,gas	325.66	J/mol×K	531.79	Joback Calculated Property
Cp,gas	337.91	J/mol×K	564.21	Joback Calculated Property
Cp,gas	349.58	J/mol×K	596.63	Joback Calculated Property
Cp,gas	360.67	J/mol×K	629.05	Joback Calculated Property
Cp,gas	371.20	J/mol×K	661.47	Joback Calculated Property
Cp,gas	381.16	J/mol×K	693.89	Joback Calculated Property
Cp,gas	390.56	J/mol×K	726.31	Joback Calculated Property
η	[0.0002151; 0.0023952]	Pa×s	[326.66; 531.79]
η	0.0023952	Pa×s	326.66	Joback Calculated Property
η	0.0013252	Pa×s	360.85	Joback Calculated Property
η	0.0008123	Pa×s	395.04	Joback Calculated Property
η	0.0005383	Pa×s	429.23	Joback Calculated Property
η	0.0003790	Pa×s	463.41	Joback Calculated Property
η	0.0002801	Pa×s	497.60	Joback Calculated Property
η	0.0002151	Pa×s	531.79	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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