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

InChI

InChI=1S/C16H32O4/c1-12(9-16(4,5)6)8-15(17)20-14(3)11-19-13(2)10-18-7/h12-14H,8-11H2,1-7H3

InChI Key

NFVCTDXZJVLHNR-UHFFFAOYSA-N

Formula

C16H32O4

SMILES

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

Molecular Weight¹

288.42

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.96	kJ/mol	Joback Calculated Property
logPoct/wat	3.432		Crippen Calculated Property
McVol	255.480	ml/mol	McGowan Calculated Property
Pc	1331.98	kPa	Joback Calculated Property
Inp	[1657.00; 1657.00]
Inp	1657.00		NIST
Inp	1657.00		NIST
Tboil	537.88	K	Relay (1.0) Calculated Property
Tc	718.55	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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	[389.64; 892.97]	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			3.52340e+01
Coefficient B			1.48624e+00
Coefficient C			-7.11400e-04
Coefficient D			8.29000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	389.64	J/mol×K	273.00	Calculated Property
Cp,gas	475.67	J/mol×K	353.78	Calculated Property
Cp,gas	553.55	J/mol×K	434.56	Calculated Property
Cp,gas	623.56	J/mol×K	515.33	Calculated Property
Cp,gas	685.96	J/mol×K	596.11	Calculated Property
Cp,gas	741.02	J/mol×K	676.89	Calculated Property
Cp,gas	788.98	J/mol×K	757.67	Calculated Property
Cp,gas	830.12	J/mol×K	838.44	Calculated Property
Cp,gas	864.70	J/mol×K	919.22	Calculated Property
Cp,gas	892.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049321; 0.0000760]	Pa×s	[314.29; 590.24]	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			-1.42366e+01
Coefficient B			2.80490e+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.			314.29
Temperature range, max.			590.24
η	0.0049321	Pa×s	314.29	Calculated Property
η	0.0022311	Pa×s	344.95	Calculated Property
η	0.0011488	Pa×s	375.61	Calculated Property
η	0.0006539	Pa×s	406.27	Calculated Property
η	0.0004028	Pa×s	436.93	Calculated Property
η	0.0002644	Pa×s	467.60	Calculated Property
η	0.0001828	Pa×s	498.26	Calculated Property
η	0.0001319	Pa×s	528.92	Calculated Property
η	0.0000986	Pa×s	559.58	Calculated Property
η	0.0000760	Pa×s	590.24	Calculated Property

Similar Compounds

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

Sources

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

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