Chemical Properties of Butanoic acid, 2,2-dimethyl-, methyl ester (CAS 813-67-2)

InChI

InChI=1S/C7H14O2/c1-5-7(2,3)6(8)9-4/h5H2,1-4H3

InChI Key

IGHXQNDUQCTKSH-UHFFFAOYSA-N

Formula

C7H14O2

SMILES

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

Molecular Weight¹

130.18

CAS

813-67-2

Other Names

• Butyric acid, 2,2-dimethyl-, methyl ester
• Methyl «alpha»,«alpha»-dimethylbutyrate
• Methyl 2,2-dimethylbutyrate

• 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).
• 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.
• 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
ΔfG°	-223.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-441.36	kJ/mol	Joback Calculated Property
ΔfusH°	9.26	kJ/mol	Joback Calculated Property
ΔvapH°	39.04	kJ/mol	Joback Calculated Property
log10WS	-1.37		Crippen Calculated Property
logPoct/wat	1.596		Crippen Calculated Property
McVol	116.930	ml/mol	McGowan Calculated Property
Pc	3002.44	kPa	Joback Calculated Property
Inp	[845.00; 845.00]
Inp	845.00		NIST
Inp	845.00		NIST
Tboil	432.62	K	Joback Calculated Property
Tc	620.42	K	Joback Calculated Property
Tfus	243.23	K	Joback Calculated Property
Vc	0.441	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.05; 306.89]	J/mol×K	[432.62; 620.42]
Cp,gas	241.05	J/mol×K	432.62	Joback Calculated Property
Cp,gas	253.38	J/mol×K	463.92	Joback Calculated Property
Cp,gas	265.15	J/mol×K	495.22	Joback Calculated Property
Cp,gas	276.37	J/mol×K	526.52	Joback Calculated Property
Cp,gas	287.06	J/mol×K	557.82	Joback Calculated Property
Cp,gas	297.22	J/mol×K	589.12	Joback Calculated Property
Cp,gas	306.89	J/mol×K	620.42	Joback Calculated Property
η	[0.0002778; 0.0047587]	Pa×s	[243.23; 432.62]
η	0.0047587	Pa×s	243.23	Joback Calculated Property
η	0.0022582	Pa×s	274.80	Joback Calculated Property
η	0.0012495	Pa×s	306.36	Joback Calculated Property
η	0.0007722	Pa×s	337.93	Joback Calculated Property
η	0.0005181	Pa×s	369.49	Joback Calculated Property
η	0.0003702	Pa×s	401.06	Joback Calculated Property
η	0.0002778	Pa×s	432.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2,2-dimethyl-, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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