Chemical Properties of Butanoic acid, 2,2-dimethylpropyl ester (CAS 23361-69-5)

InChI

InChI=1S/C9H18O2/c1-5-6-8(10)11-7-9(2,3)4/h5-7H2,1-4H3

InChI Key

BLTRSYBDPNEMNK-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

CCCC(=O)OCC(C)(C)C

Molecular Weight¹

158.24

CAS

23361-69-5

• 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).
• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.28; 493.22]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.35700e+00
Coefficient B			9.29880e-01
Coefficient C			-5.43000e-04
Coefficient D			1.10700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.28	J/mol×K	273.00	Calculated Property
Cp,gas	261.55	J/mol×K	353.78	Calculated Property
Cp,gas	306.27	J/mol×K	434.56	Calculated Property
Cp,gas	345.79	J/mol×K	515.33	Calculated Property
Cp,gas	380.45	J/mol×K	596.11	Calculated Property
Cp,gas	410.61	J/mol×K	676.89	Calculated Property
Cp,gas	436.62	J/mol×K	757.67	Calculated Property
Cp,gas	458.82	J/mol×K	838.44	Calculated Property
Cp,gas	477.57	J/mol×K	919.22	Calculated Property
Cp,gas	493.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0091767; 0.0002515]	Pa×s	[235.94; 449.07]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.22699e+01
Coefficient B			1.78814e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			235.94
Temperature range, max.			449.07
η	0.0091767	Pa×s	235.94	Calculated Property
η	0.0045969	Pa×s	259.62	Calculated Property
η	0.0025848	Pa×s	283.30	Calculated Property
η	0.0015884	Pa×s	306.98	Calculated Property
η	0.0010467	Pa×s	330.66	Calculated Property
η	0.0007292	Pa×s	354.35	Calculated Property
η	0.0005316	Pa×s	378.03	Calculated Property
η	0.0004022	Pa×s	401.71	Calculated Property
η	0.0003139	Pa×s	425.39	Calculated Property
η	0.0002515	Pa×s	449.07	Calculated Property

Similar Compounds

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

Sources

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

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