Chemical Properties of .gamma.-tridecalactone

InChI

InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-12-10-11-13(14)15-12/h12H,2-11H2,1H3

InChI Key

JKAJPOOMLFHWAY-UHFFFAOYSA-N

Formula

C13H24O2

SMILES

CCCCCCCCCC1CCC(=O)O1

Molecular Weight¹

212.33

• 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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-562.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.93	kJ/mol	Joback Calculated Property
ΔvapH°	84.13	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.833		Crippen Calculated Property
McVol	190.610	ml/mol	McGowan Calculated Property
I	[2488.00; 2488.00]
I	2488.00		NIST
I	2488.00		NIST
Tboil	598.70	K	Relay (1.0) Calculated Property
Tfus	266.34	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[274.16; 677.86]	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			-3.37620e+01
Coefficient B			1.33492e+00
Coefficient C			-8.09000e-04
Coefficient D			1.85700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	274.16	J/mol×K	273.00	Calculated Property
Cp,gas	345.47	J/mol×K	353.78	Calculated Property
Cp,gas	408.80	J/mol×K	434.56	Calculated Property
Cp,gas	464.74	J/mol×K	515.33	Calculated Property
Cp,gas	513.86	J/mol×K	596.11	Calculated Property
Cp,gas	556.76	J/mol×K	676.89	Calculated Property
Cp,gas	594.02	J/mol×K	757.67	Calculated Property
Cp,gas	626.23	J/mol×K	838.44	Calculated Property
Cp,gas	653.98	J/mol×K	919.22	Calculated Property
Cp,gas	677.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032915; 0.0004340]	Pa×s	[296.54; 517.17]	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			-1.04658e+01
Coefficient B			1.40840e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			296.54
Temperature range, max.			517.17
η	0.0032915	Pa×s	296.54	Calculated Property
η	0.0022904	Pa×s	321.05	Calculated Property
η	0.0016779	Pa×s	345.57	Calculated Property
η	0.0012809	Pa×s	370.08	Calculated Property
η	0.0010112	Pa×s	394.60	Calculated Property
η	0.0008207	Pa×s	419.11	Calculated Property
η	0.0006816	Pa×s	443.62	Calculated Property
η	0.0005772	Pa×s	468.14	Calculated Property
η	0.0004969	Pa×s	492.65	Calculated Property
η	0.0004340	Pa×s	517.17	Calculated Property

Similar Compounds

Find more compounds similar to .gamma.-tridecalactone.

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.
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