Chemical Properties of 2H-Pyran-2-one, tetrahydro-6-tridecyl- (CAS 1227-51-6)

InChI

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(19)20-17/h17H,2-16H2,1H3

InChI Key

VVLRVPJYFLFSQG-UHFFFAOYSA-N

Formula

C18H34O2

SMILES

CCCCCCCCCCCCCC1CCCC(=O)O1

Molecular Weight¹

282.46

CAS

1227-51-6

Other Names

• Octadecanoic acid, 5-hydroxy-, «delta»-lactone

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[375.33; 937.59]	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			-4.34280e+01
Coefficient B			1.80032e+00
Coefficient C			-1.03460e-03
Coefficient D			2.15300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	375.33	J/mol×K	273.00	Calculated Property
Cp,gas	473.53	J/mol×K	353.78	Calculated Property
Cp,gas	561.21	J/mol×K	434.56	Calculated Property
Cp,gas	639.04	J/mol×K	515.33	Calculated Property
Cp,gas	707.73	J/mol×K	596.11	Calculated Property
Cp,gas	767.93	J/mol×K	676.89	Calculated Property
Cp,gas	820.34	J/mol×K	757.67	Calculated Property
Cp,gas	865.63	J/mol×K	838.44	Calculated Property
Cp,gas	904.49	J/mol×K	919.22	Calculated Property
Cp,gas	937.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030737; 0.0002516]	Pa×s	[349.37; 600.15]	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			-1.17744e+01
Coefficient B			2.09257e+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.			349.37
Temperature range, max.			600.15
η	0.0030737	Pa×s	349.37	Calculated Property
η	0.0019748	Pa×s	377.23	Calculated Property
η	0.0013484	Pa×s	405.10	Calculated Property
η	0.0009670	Pa×s	432.96	Calculated Property
η	0.0007220	Pa×s	460.83	Calculated Property
η	0.0005573	Pa×s	488.69	Calculated Property
η	0.0004423	Pa×s	516.56	Calculated Property
η	0.0003595	Pa×s	544.42	Calculated Property
η	0.0002981	Pa×s	572.29	Calculated Property
η	0.0002516	Pa×s	600.15	Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran-2-one, tetrahydro-6-tridecyl-.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.