Chemical Properties of 1-((1-Butoxypropan-2-yl)oxy)propan-2-yl isobutyl carbonate

InChI

InChI=1S/C15H30O5/c1-6-7-8-17-10-13(4)18-11-14(5)20-15(16)19-9-12(2)3/h12-14H,6-11H2,1-5H3

InChI Key

UFRIHVVHBRIZHF-UHFFFAOYSA-N

Formula

C15H30O5

SMILES

CCCCOCC(C)OCC(C)OC(=O)OCC(C)C

Molecular Weight¹

290.40

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[385.29; 858.42]	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			8.61160e+01
Coefficient B			1.20220e+00
Coefficient C			-3.74200e-04
Coefficient D			-5.57000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	385.29	J/mol×K	273.00	Calculated Property
Cp,gas	462.13	J/mol×K	353.78	Calculated Property
Cp,gas	533.30	J/mol×K	434.56	Calculated Property
Cp,gas	598.65	J/mol×K	515.33	Calculated Property
Cp,gas	657.99	J/mol×K	596.11	Calculated Property
Cp,gas	711.15	J/mol×K	676.89	Calculated Property
Cp,gas	757.94	J/mol×K	757.67	Calculated Property
Cp,gas	798.20	J/mol×K	838.44	Calculated Property
Cp,gas	831.75	J/mol×K	919.22	Calculated Property
Cp,gas	858.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028717; 0.0000768]	Pa×s	[322.83; 587.97]	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			-1.38827e+01
Coefficient B			2.59229e+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.			322.83
Temperature range, max.			587.97
η	0.0028717	Pa×s	322.83	Calculated Property
η	0.0014673	Pa×s	352.29	Calculated Property
η	0.0008316	Pa×s	381.75	Calculated Property
η	0.0005112	Pa×s	411.21	Calculated Property
η	0.0003354	Pa×s	440.67	Calculated Property
η	0.0002320	Pa×s	470.13	Calculated Property
η	0.0001676	Pa×s	499.59	Calculated Property
η	0.0001255	Pa×s	529.05	Calculated Property
η	0.0000969	Pa×s	558.51	Calculated Property
η	0.0000768	Pa×s	587.97	Calculated Property

Similar Compounds

Find more compounds similar to 1-((1-Butoxypropan-2-yl)oxy)propan-2-yl isobutyl carbonate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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