Chemical Properties of Pivalic acid, 2-methylpropyl ester

InChI

InChI=1S/C9H18O2/c1-7(2)6-11-8(10)9(3,4)5/h7H,6H2,1-5H3

InChI Key

IFVLZKSUYNTRHJ-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

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

Molecular Weight¹

158.24

Other Names

• iso-Butyl pivalate
• Propanoic acid, 2,2-dimethyl, 2-methylpropyl ester

• 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	0.4757		Relay (1.0) Calculated Property
ΔfH°gas	-566.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.50	kJ/mol	Joback Calculated Property
ΔvapH°	5515.00	kJ/mol	NIST
IE	9.67	eV	Relay (1.0) Calculated Property
log10WS	-2.30		Relay (1.0) Calculated Property
logPoct/wat	2.232		Crippen Calculated Property
McVol	145.110	ml/mol	McGowan Calculated Property
Pc	2379.54	kPa	Joback Calculated Property
Inp	[930.00; 933.00]
Inp	930.00		NIST
Inp	933.00		NIST
Inp	930.00		NIST
I	[1084.00; 1085.00]
I	1084.00		NIST
I	1085.00		NIST
I	1085.00		NIST
I	1085.00		NIST
Tboil	426.94	K	Relay (1.0) Calculated Property
Tc	607.33	K	Relay (1.0) Calculated Property
Tfus	201.60	K	Relay (1.0) Calculated Property
Vc	0.556	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	[319.61; 399.92]	J/mol×K	[460.07; 645.09]
Cp,gas	319.61	J/mol×K	460.07	Joback Calculated Property
Cp,gas	334.76	J/mol×K	490.91	Joback Calculated Property
Cp,gas	349.18	J/mol×K	521.74	Joback Calculated Property
Cp,gas	362.88	J/mol×K	552.58	Joback Calculated Property
Cp,gas	375.89	J/mol×K	583.42	Joback Calculated Property
Cp,gas	388.23	J/mol×K	614.25	Joback Calculated Property
Cp,gas	399.92	J/mol×K	645.09	Joback Calculated Property
η	[0.0002171; 0.0159328]	Pa×s	[220.94; 460.07]
η	0.0159328	Pa×s	220.94	Joback Calculated Property
η	0.0045059	Pa×s	260.79	Joback Calculated Property
η	0.0017811	Pa×s	300.65	Joback Calculated Property
η	0.0008749	Pa×s	340.50	Joback Calculated Property
η	0.0004988	Pa×s	380.36	Joback Calculated Property
η	0.0003164	Pa×s	420.21	Joback Calculated Property
η	0.0002171	Pa×s	460.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pivalic acid, 2-methylpropyl ester.

Sources

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

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