Chemical Properties of Oxacyclotetradecan-2-one (CAS 1725-04-8)

InChI

InChI=1S/C13H24O2/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-15-13/h1-12H2

InChI Key

IUDIJIVSWGWJNV-UHFFFAOYSA-N

Formula

C13H24O2

SMILES

O=C1CCCCCCCCCCCCO1

Molecular Weight¹

212.33

CAS

1725-04-8

Other Names

• 1,13-Tridecanolide
• 1-Oxacyclotetradecan-2-one
• 13-Tridecanolide
• Tridecano-13-lactone
• Tridecanoic acid, 13-hydroxy-, «mu»-lactone
• Tridecanolide

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3489		Relay (1.0) Calculated Property
ΔcH°solid	-7895.30 ± 2.90	kJ/mol	NIST
ΔfG°	-292.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-569.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-644.00 ± 2.00	kJ/mol	NIST
ΔfH°solid	-648.10 ± 2.90	kJ/mol	NIST
ΔfusH°	11.96	kJ/mol	Joback Calculated Property
ΔvapH°	[72.90; 75.00]	kJ/mol
ΔvapH°	75.00	kJ/mol	NIST
ΔvapH°	72.90 ± 1.70	kJ/mol	NIST
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-3.44		Relay (1.0) Calculated Property
logPoct/wat	3.834		Crippen Calculated Property
McVol	190.610	ml/mol	McGowan Calculated Property
Pc	2327.03	kPa	Joback Calculated Property
Inp	[1590.00; 1640.80]
Inp	1627.00		NIST
Inp	1640.80		NIST
Inp	1636.00		NIST
Inp	Outlier 1590.00		NIST
Inp	1636.00		NIST
Inp	1627.00		NIST
I	[2030.00; 2082.00]
I	2030.00		NIST
I	2082.00		NIST
I	2062.00		NIST
I	2055.00		NIST
I	2030.00		NIST
I	2082.00		NIST
S°solid,1 bar	[401.80; 401.90]	J/mol×K
S°solid,1 bar	401.80	J/mol×K	NIST
S°solid,1 bar	401.90	J/mol×K	NIST
Tboil	629.84	K	Relay (1.0) Calculated Property
Tc	831.64	K	Relay (1.0) Calculated Property
Tfus	312.99	K	Relay (1.0) Calculated Property
Ttriple	[300.40; 300.42]	K
Ttriple	300.42 ± 0.01	K	NIST
Ttriple	300.40 ± 0.10	K	NIST
Ttriple	300.42 ± 0.01	K	NIST
Ttriple	300.40 ± 0.10	K	NIST

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[398.30; 398.30]	J/mol×K	[298.15; 298.15]
Cp,solid	398.30	J/mol×K	298.15	NIST
Cp,solid	398.30	J/mol×K	298.15	NIST
ΔfusH	9.08	kJ/mol	300.40	NIST
ΔvapH	[66.60; 67.50]	kJ/mol	[390.00; 418.00]
ΔvapH	66.60 ± 1.10	kJ/mol	390.00	NIST
ΔvapH	67.50	kJ/mol	418.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[227.86; 687.21]	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			-8.57900e+01
Coefficient B			1.27500e+00
Coefficient C			-4.46800e-04
Coefficient D			-5.52000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.86	J/mol×K	273.00	Calculated Property
Cp,gas	306.91	J/mol×K	353.78	Calculated Property
Cp,gas	379.37	J/mol×K	434.56	Calculated Property
Cp,gas	445.05	J/mol×K	515.33	Calculated Property
Cp,gas	503.79	J/mol×K	596.11	Calculated Property
Cp,gas	555.41	J/mol×K	676.89	Calculated Property
Cp,gas	599.74	J/mol×K	757.67	Calculated Property
Cp,gas	636.60	J/mol×K	838.44	Calculated Property
Cp,gas	665.81	J/mol×K	919.22	Calculated Property
Cp,gas	687.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0452504; 0.0000328]	Pa×s	[269.10; 589.96]	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			-1.63858e+01
Coefficient B			3.57642e+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.			269.10
Temperature range, max.			589.96
η	0.0452504	Pa×s	269.10	Calculated Property
η	0.0095586	Pa×s	304.75	Calculated Property
η	0.0027964	Pa×s	340.40	Calculated Property
η	0.0010328	Pa×s	376.05	Calculated Property
η	0.0004533	Pa×s	411.71	Calculated Property
η	0.0002268	Pa×s	447.36	Calculated Property
η	0.0001257	Pa×s	483.01	Calculated Property
η	0.0000756	Pa×s	518.66	Calculated Property
η	0.0000485	Pa×s	554.31	Calculated Property
η	0.0000328	Pa×s	589.96	Calculated Property

Similar Compounds

Find more compounds similar to Oxacyclotetradecan-2-one.

Sources

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

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