Chemical Properties of 1-(1-Butoxypropan-2-yloxy)propan-2-yl 3,5,5-trimethylhexanoate

InChI

InChI=1S/C19H38O4/c1-8-9-10-21-13-16(3)22-14-17(4)23-18(20)11-15(2)12-19(5,6)7/h15-17H,8-14H2,1-7H3

InChI Key

PGFMVCGDTBSNIV-UHFFFAOYSA-N

Formula

C19H38O4

SMILES

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

Molecular Weight¹

330.50

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[453.29; 1047.75]	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			3.25070e+01
Coefficient B			1.77124e+00
Coefficient C			-8.74600e-04
Coefficient D			1.18600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	453.29	J/mol×K	273.00	Calculated Property
Cp,gas	554.92	J/mol×K	353.78	Calculated Property
Cp,gas	646.78	J/mol×K	434.56	Calculated Property
Cp,gas	729.25	J/mol×K	515.33	Calculated Property
Cp,gas	802.70	J/mol×K	596.11	Calculated Property
Cp,gas	867.50	J/mol×K	676.89	Calculated Property
Cp,gas	924.03	J/mol×K	757.67	Calculated Property
Cp,gas	972.66	J/mol×K	838.44	Calculated Property
Cp,gas	1013.78	J/mol×K	919.22	Calculated Property
Cp,gas	1047.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029436; 0.0000522]	Pa×s	[348.10; 638.17]	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			-1.46974e+01
Coefficient B			3.08738e+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.			348.10
Temperature range, max.			638.17
η	0.0029436	Pa×s	348.10	Calculated Property
η	0.0013882	Pa×s	380.33	Calculated Property
η	0.0007363	Pa×s	412.56	Calculated Property
η	0.0004281	Pa×s	444.79	Calculated Property
η	0.0002678	Pa×s	477.02	Calculated Property
η	0.0001778	Pa×s	509.25	Calculated Property
η	0.0001240	Pa×s	541.48	Calculated Property
η	0.0000900	Pa×s	573.71	Calculated Property
η	0.0000676	Pa×s	605.94	Calculated Property
η	0.0000522	Pa×s	638.17	Calculated Property

Similar Compounds

Find more compounds similar to 1-(1-Butoxypropan-2-yloxy)propan-2-yl 3,5,5-trimethylhexanoate.

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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