Chemical Properties of Butanoic acid, 3-methyl-, 1-methylpropyl ester (CAS 2051-38-9)

InChI

InChI=1S/C9H18O2/c1-5-8(4)11-9(10)6-7(2)3/h7-8H,5-6H2,1-4H3

InChI Key

QPZJVNQNKWDDEQ-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

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

Molecular Weight¹

158.24

CAS

2051-38-9

Other Names

• sec-butyl isovalerate

• 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_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.11; 492.83]	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			1.67520e+01
Coefficient B			8.15880e-01
Coefficient C			-3.77600e-04
Coefficient D			3.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	212.11	J/mol×K	273.00	Calculated Property
Cp,gas	259.81	J/mol×K	353.78	Calculated Property
Cp,gas	303.09	J/mol×K	434.56	Calculated Property
Cp,gas	342.10	J/mol×K	515.33	Calculated Property
Cp,gas	376.93	J/mol×K	596.11	Calculated Property
Cp,gas	407.73	J/mol×K	676.89	Calculated Property
Cp,gas	434.59	J/mol×K	757.67	Calculated Property
Cp,gas	457.65	J/mol×K	838.44	Calculated Property
Cp,gas	477.03	J/mol×K	919.22	Calculated Property
Cp,gas	492.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0178089; 0.0002282]	Pa×s	[203.52; 448.56]	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			-1.20039e+01
Coefficient B			1.62324e+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.			203.52
Temperature range, max.			448.56
η	0.0178089	Pa×s	203.52	Calculated Property
η	0.0069490	Pa×s	230.75	Calculated Property
η	0.0033073	Pa×s	257.97	Calculated Property
η	0.0018138	Pa×s	285.20	Calculated Property
η	0.0011046	Pa×s	312.43	Calculated Property
η	0.0007283	Pa×s	339.65	Calculated Property
η	0.0005108	Pa×s	366.88	Calculated Property
η	0.0003763	Pa×s	394.11	Calculated Property
η	0.0002884	Pa×s	421.34	Calculated Property
η	0.0002282	Pa×s	448.56	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 3-methyl-, 1-methylpropyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.