Chemical Properties of Oxacyclopentadecan-2-one (CAS 3537-83-5)

InChI

InChI=1S/C14H26O2/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-14/h1-13H2

InChI Key

LFSYLMRHJKGLDV-UHFFFAOYSA-N

Formula

C14H26O2

SMILES

O=C1CCCCCCCCCCCCCO1

Molecular Weight¹

226.35

CAS

3537-83-5

Other Names

• Cyclotetradecanolide
• Tetradecano-14-lactone
• Tetradecanolactone

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3505		Relay (1.0) Calculated Property
ΔfG°	-295.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-610.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.45	kJ/mol	Joback Calculated Property
ΔvapH°	79.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.41	eV	Relay (1.0) Calculated Property
log10WS	-3.79		Relay (1.0) Calculated Property
logPoct/wat	4.224		Crippen Calculated Property
McVol	204.700	ml/mol	McGowan Calculated Property
Pc	2175.46	kPa	Joback Calculated Property
Inp	[1727.00; 1744.00]
Inp	1727.00		NIST
Inp	1744.00		NIST
Inp	1744.00		NIST
Inp	1727.00		NIST
I	2132.00		NIST
Tboil	646.12	K	Relay (1.0) Calculated Property
Tc	845.20	K	Relay (1.0) Calculated Property
Tfus	317.10	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume 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	[244.18; 740.58]	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			-9.18200e+01
Coefficient B			1.36040e+00
Coefficient C			-4.54800e-04
Coefficient D			-7.32000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.18	J/mol×K	273.00	Calculated Property
Cp,gas	329.30	J/mol×K	353.78	Calculated Property
Cp,gas	407.46	J/mol×K	434.56	Calculated Property
Cp,gas	478.44	J/mol×K	515.33	Calculated Property
Cp,gas	542.01	J/mol×K	596.11	Calculated Property
Cp,gas	597.94	J/mol×K	676.89	Calculated Property
Cp,gas	645.99	J/mol×K	757.67	Calculated Property
Cp,gas	685.94	J/mol×K	838.44	Calculated Property
Cp,gas	717.54	J/mol×K	919.22	Calculated Property
Cp,gas	740.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0454657; 0.0000211]	Pa×s	[276.85; 611.17]	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			-1.71199e+01
Coefficient B			3.88395e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			276.85
Temperature range, max.			611.17
η	0.0454657	Pa×s	276.85	Calculated Property
η	0.0086477	Pa×s	314.00	Calculated Property
η	0.0023368	Pa×s	351.14	Calculated Property
η	0.0008111	Pa×s	388.29	Calculated Property
η	0.0003387	Pa×s	425.44	Calculated Property
η	0.0001627	Pa×s	462.58	Calculated Property
η	0.0000872	Pa×s	499.73	Calculated Property
η	0.0000509	Pa×s	536.87	Calculated Property
η	0.0000319	Pa×s	574.02	Calculated Property
η	0.0000211	Pa×s	611.17	Calculated Property

Similar Compounds

Find more compounds similar to Oxacyclopentadecan-2-one.

Sources

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

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