Chemical Properties of BUTANOIC ACID, 2-METHYL-, 1-METHYLETHYL ESTER

InChI

InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3

InChI Key

DIRDKDDFAMNBNY-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

CCC(C)C(=O)OC(C)C

Molecular Weight¹

144.21

Other Names

• Isopropyl 2-methylbutanoate
• 2-Propyl 2-methylbutanoate
• Isopropyl 2-methyIbutyrate
• 1-Methylethyl 2-methylbutanoate
• isopropyl 2-methylbutyrate

• 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	0.4503		Relay (1.0) Calculated Property
ΔfH°gas	-567.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.80	kJ/mol	Joback Calculated Property
ΔvapH°	46.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	-2.03		Relay (1.0) Calculated Property
logPoct/wat	1.984		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Pc	2589.85	kPa	Joback Calculated Property
Inp	[960.00; 960.00]
Inp	960.00		NIST
Inp	960.00		NIST
I	[1052.00; 1061.00]
I	1052.00		NIST
I	1061.00		NIST
Tboil	382.50	K	Relay (1.0) Calculated Property
Tc	586.66	K	Relay (1.0) Calculated Property
Tfus	200.48	K	Relay (1.0) Calculated Property
Vc	0.499	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	[274.47; 346.33]	J/mol×K	[439.98; 619.40]
Cp,gas	274.47	J/mol×K	439.98	Joback Calculated Property
Cp,gas	287.72	J/mol×K	469.88	Joback Calculated Property
Cp,gas	300.45	J/mol×K	499.79	Joback Calculated Property
Cp,gas	312.67	J/mol×K	529.69	Joback Calculated Property
Cp,gas	324.39	J/mol×K	559.59	Joback Calculated Property
Cp,gas	335.61	J/mol×K	589.50	Joback Calculated Property
Cp,gas	346.33	J/mol×K	619.40	Joback Calculated Property
η	[0.0002199; 0.0193686]	Pa×s	[192.25; 439.98]
η	0.0193686	Pa×s	192.25	Joback Calculated Property
η	0.0047469	Pa×s	233.54	Joback Calculated Property
η	0.0017751	Pa×s	274.83	Joback Calculated Property
η	0.0008583	Pa×s	316.12	Joback Calculated Property
η	0.0004908	Pa×s	357.40	Joback Calculated Property
η	0.0003152	Pa×s	398.69	Joback Calculated Property
η	0.0002199	Pa×s	439.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to BUTANOIC ACID, 2-METHYL-, 1-METHYLETHYL ESTER.

Sources

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

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