Chemical Properties of 6-Undecyl-5,6-dihydro-2H-pyran-2-one (CAS 81017-06-3)

InChI

InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h11,14-15H,2-10,12-13H2,1H3

InChI Key

LIIXNZRSHIMJDW-UHFFFAOYSA-N

Formula

C16H28O2

SMILES

CCCCCCCCCCCC1CC=CC(=O)O1

Molecular Weight¹

252.39

CAS

81017-06-3

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-547.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.82	kJ/mol	Joback Calculated Property
ΔvapH°	102.65	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.779		Crippen Calculated Property
McVol	228.580	ml/mol	McGowan Calculated Property
Inp	[2122.90; 2122.90]
Inp	2122.90		NIST
Inp	2122.90		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[326.43; 803.11]	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			-3.38300e+01
Coefficient B			1.55432e+00
Coefficient C			-9.13080e-04
Coefficient D			1.95700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	326.43	J/mol×K	273.00	Calculated Property
Cp,gas	410.44	J/mol×K	353.78	Calculated Property
Cp,gas	485.24	J/mol×K	434.56	Calculated Property
Cp,gas	551.46	J/mol×K	515.33	Calculated Property
Cp,gas	609.71	J/mol×K	596.11	Calculated Property
Cp,gas	660.61	J/mol×K	676.89	Calculated Property
Cp,gas	704.78	J/mol×K	757.67	Calculated Property
Cp,gas	742.84	J/mol×K	838.44	Calculated Property
Cp,gas	775.41	J/mol×K	919.22	Calculated Property
Cp,gas	803.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030998; 0.0002975]	Pa×s	[327.59; 569.28]	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			-1.12970e+01
Coefficient B			1.80849e+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.			327.59
Temperature range, max.			569.28
η	0.0030998	Pa×s	327.59	Calculated Property
η	0.0020403	Pa×s	354.44	Calculated Property
η	0.0014244	Pa×s	381.30	Calculated Property
η	0.0010426	Pa×s	408.15	Calculated Property
η	0.0007931	Pa×s	435.01	Calculated Property
η	0.0006228	Pa×s	461.86	Calculated Property
η	0.0005022	Pa×s	488.71	Calculated Property
η	0.0004142	Pa×s	515.57	Calculated Property
η	0.0003481	Pa×s	542.42	Calculated Property
η	0.0002975	Pa×s	569.28	Calculated Property

Similar Compounds

Find more compounds similar to 6-Undecyl-5,6-dihydro-2H-pyran-2-one.

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.