Chemical Properties of CH3C(O)OCH(CH2CH3)C(CH3)3 (CAS 39511-81-4)

InChI

InChI=1S/C9H18O2/c1-6-8(9(3,4)5)11-7(2)10/h8H,6H2,1-5H3

InChI Key

OZVHACQHIBUHOC-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

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

Molecular Weight¹

158.24

CAS

39511-81-4

Other Names

• Acetic acid, 2,2-dimethylpent-3-yl ester

• 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.
• 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, Acentric Factor 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	[210.97; 493.76]	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			-6.03900e+00
Coefficient B			9.35800e-01
Coefficient C			-5.46200e-04
Coefficient D			1.10200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.97	J/mol×K	273.00	Calculated Property
Cp,gas	261.54	J/mol×K	353.78	Calculated Property
Cp,gas	306.52	J/mol×K	434.56	Calculated Property
Cp,gas	346.24	J/mol×K	515.33	Calculated Property
Cp,gas	381.05	J/mol×K	596.11	Calculated Property
Cp,gas	411.31	J/mol×K	676.89	Calculated Property
Cp,gas	437.37	J/mol×K	757.67	Calculated Property
Cp,gas	459.56	J/mol×K	838.44	Calculated Property
Cp,gas	478.24	J/mol×K	919.22	Calculated Property
Cp,gas	493.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0159328; 0.0002340]	Pa×s	[220.94; 451.56]	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			-1.24039e+01
Coefficient B			1.82596e+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.			220.94
Temperature range, max.			451.56
η	0.0159328	Pa×s	220.94	Calculated Property
η	0.0067495	Pa×s	246.56	Calculated Property
η	0.0033612	Pa×s	272.19	Calculated Property
η	0.0018872	Pa×s	297.81	Calculated Property
η	0.0011610	Pa×s	323.44	Calculated Property
η	0.0007671	Pa×s	349.06	Calculated Property
η	0.0005364	Pa×s	374.69	Calculated Property
η	0.0003927	Pa×s	400.31	Calculated Property
η	0.0002984	Pa×s	425.94	Calculated Property
η	0.0002340	Pa×s	451.56	Calculated Property

Similar Compounds

Find more compounds similar to CH3C(O)OCH(CH2CH3)C(CH3)3.

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.