Chemical Properties of 1-Propoxypropan-2-yl 3,5,5-trimethylhexanoate

InChI

InChI=1S/C15H30O3/c1-7-8-17-11-13(3)18-14(16)9-12(2)10-15(4,5)6/h12-13H,7-11H2,1-6H3

InChI Key

UWUZSZNNQJCARS-UHFFFAOYSA-N

Formula

C15H30O3

SMILES

CCCOCC(C)OC(=O)CC(C)CC(C)(C)C

Molecular Weight¹

258.40

• 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

Property	Value	Unit	Source
ΔfusH°	25.70	kJ/mol	Joback Calculated Property
logPoct/wat	3.807		Crippen Calculated Property
McVol	235.520	ml/mol	McGowan Calculated Property
Inp	[1521.00; 1521.00]
Inp	1521.00		NIST
Inp	1521.00		NIST

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	[353.34; 822.35]	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			1.23250e+01
Coefficient B			1.44852e+00
Coefficient C			-7.64800e-04
Coefficient D			1.26300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	353.34	J/mol×K	273.00	Calculated Property
Cp,gas	434.65	J/mol×K	353.78	Calculated Property
Cp,gas	507.73	J/mol×K	434.56	Calculated Property
Cp,gas	572.97	J/mol×K	515.33	Calculated Property
Cp,gas	630.79	J/mol×K	596.11	Calculated Property
Cp,gas	681.57	J/mol×K	676.89	Calculated Property
Cp,gas	725.71	J/mol×K	757.67	Calculated Property
Cp,gas	763.63	J/mol×K	838.44	Calculated Property
Cp,gas	795.70	J/mol×K	919.22	Calculated Property
Cp,gas	822.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0067131; 0.0001169]	Pa×s	[295.79; 557.81]	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			-1.36275e+01
Coefficient B			2.55083e+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.			295.79
Temperature range, max.			557.81
η	0.0067131	Pa×s	295.79	Calculated Property
η	0.0030997	Pa×s	324.90	Calculated Property
η	0.0016253	Pa×s	354.02	Calculated Property
η	0.0009400	Pa×s	383.13	Calculated Property
η	0.0005874	Pa×s	412.24	Calculated Property
η	0.0003906	Pa×s	441.36	Calculated Property
η	0.0002731	Pa×s	470.47	Calculated Property
η	0.0001991	Pa×s	499.58	Calculated Property
η	0.0001503	Pa×s	528.69	Calculated Property
η	0.0001169	Pa×s	557.81	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propoxypropan-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

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.