Chemical Properties of Butanoic acid, 1,1-dimethylethyl ester (CAS 2308-38-5)

InChI

InChI=1S/C8H16O2/c1-5-6-7(9)10-8(2,3)4/h5-6H2,1-4H3

InChI Key

TWBUVVYSQBFVGZ-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

CCCC(=O)OC(C)(C)C

Molecular Weight¹

144.21

CAS

2308-38-5

Other Names

• CH3CH2CH2C(O)OC(CH3)3
• tert-Butyl butyrate

• 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	0.4552		Relay (1.0) Calculated Property
ΔfH°gas	-557.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.43	kJ/mol	Joback Calculated Property
ΔvapH°	46.51	kJ/mol	Relay (1.0) Calculated Property
IE	9.72	eV	Relay (1.0) Calculated Property
log10WS	-1.75		Relay (1.0) Calculated Property
logPoct/wat	2.128		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Pc	2597.78	kPa	Joback Calculated Property
Inp	[851.00; 873.00]
Inp	858.00		NIST
Inp	851.00		NIST
Inp	873.00		NIST
Inp	873.00		NIST
Inp	866.00		NIST
Inp	862.00		NIST
I	[1037.00; 1090.00]
I	1090.00		NIST
I	1060.00		NIST
I	1058.00		NIST
I	1037.00		NIST
I	1048.00		NIST
Tboil	409.40 ± 2.00	K	NIST
Tc	588.84	K	Relay (1.0) Calculated Property
Tfus	190.59	K	Relay (1.0) Calculated Property
Vc	0.506	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	[276.62; 349.99]	J/mol×K	[437.63; 620.24]
Cp,gas	276.62	J/mol×K	437.63	Joback Calculated Property
Cp,gas	290.42	J/mol×K	468.06	Joback Calculated Property
Cp,gas	303.56	J/mol×K	498.50	Joback Calculated Property
Cp,gas	316.07	J/mol×K	528.93	Joback Calculated Property
Cp,gas	327.97	J/mol×K	559.37	Joback Calculated Property
Cp,gas	339.27	J/mol×K	589.80	Joback Calculated Property
Cp,gas	349.99	J/mol×K	620.24	Joback Calculated Property
η	[0.0002503; 0.0098150]	Pa×s	[224.67; 437.63]
η	0.0098150	Pa×s	224.67	Joback Calculated Property
η	0.0035088	Pa×s	260.16	Joback Calculated Property
η	0.0016058	Pa×s	295.66	Joback Calculated Property
η	0.0008689	Pa×s	331.15	Joback Calculated Property
η	0.0005296	Pa×s	366.64	Joback Calculated Property
η	0.0003522	Pa×s	402.14	Joback Calculated Property
η	0.0002503	Pa×s	437.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 1,1-dimethylethyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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