Chemical Properties of 1-Butanol, 3-methyl-, carbonate (2:1) (CAS 2050-95-5)

InChI

InChI=1S/C11H22O3/c1-9(2)5-7-13-11(12)14-8-6-10(3)4/h9-10H,5-8H2,1-4H3

InChI Key

DWWPOAYNAWHBKI-UHFFFAOYSA-N

Formula

C11H22O3

SMILES

CC(C)CCOC(=O)OCCC(C)C

Molecular Weight¹

202.29

CAS

2050-95-5

Other Names

• Di-iso-amyl carbonate
• diisopentyl carbonate

• 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	[269.95; 614.51]	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			4.04340e+01
Coefficient B			9.42680e-01
Coefficient C			-3.75400e-04
Coefficient D			6.80000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	269.95	J/mol×K	273.00	Calculated Property
Cp,gas	327.25	J/mol×K	353.78	Calculated Property
Cp,gas	379.75	J/mol×K	434.56	Calculated Property
Cp,gas	427.46	J/mol×K	515.33	Calculated Property
Cp,gas	470.42	J/mol×K	596.11	Calculated Property
Cp,gas	508.63	J/mol×K	676.89	Calculated Property
Cp,gas	542.13	J/mol×K	757.67	Calculated Property
Cp,gas	570.92	J/mol×K	838.44	Calculated Property
Cp,gas	595.05	J/mol×K	919.22	Calculated Property
Cp,gas	614.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0086136; 0.0001794]	Pa×s	[248.29; 493.73]	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			-1.25423e+01
Coefficient B			1.93365e+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.			248.29
Temperature range, max.			493.73
η	0.0086136	Pa×s	248.29	Calculated Property
η	0.0039853	Pa×s	275.56	Calculated Property
η	0.0021185	Pa×s	302.83	Calculated Property
η	0.0012501	Pa×s	330.10	Calculated Property
η	0.0007995	Pa×s	357.37	Calculated Property
η	0.0005448	Pa×s	384.65	Calculated Property
η	0.0003905	Pa×s	411.92	Calculated Property
η	0.0002918	Pa×s	439.19	Calculated Property
η	0.0002256	Pa×s	466.46	Calculated Property
η	0.0001794	Pa×s	493.73	Calculated Property

Similar Compounds

Find more compounds similar to 1-Butanol, 3-methyl-, carbonate (2:1).

Sources

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

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