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

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

• 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).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-7895.30 ± 2.90	kJ/mol	NIST
ΔfG°	-214.77	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°	10.88	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
log10WS	-4.02		Crippen Calculated Property
logPoct/wat	3.834		Crippen Calculated Property
McVol	190.610	ml/mol	McGowan Calculated Property
Pc	2495.01	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	1627.00		NIST
Inp	1636.00		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	649.99	K	Joback Calculated Property
Tc	913.37	K	Joback Calculated Property
Tfus	314.52	K	Joback Calculated Property
Ttriple	[300.40; 300.42]	K
Ttriple	300.42 ± 0.01	K	NIST
Ttriple	300.40 ± 0.10	K	NIST
Vc	0.661	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[542.95; 676.97]	J/mol×K	[649.99; 913.37]
Cp,gas	542.95	J/mol×K	649.99	Joback Calculated Property
Cp,gas	571.03	J/mol×K	693.89	Joback Calculated Property
Cp,gas	596.94	J/mol×K	737.78	Joback Calculated Property
Cp,gas	620.58	J/mol×K	781.68	Joback Calculated Property
Cp,gas	641.85	J/mol×K	825.58	Joback Calculated Property
Cp,gas	660.68	J/mol×K	869.48	Joback Calculated Property
Cp,gas	676.97	J/mol×K	913.37	Joback Calculated Property
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

Similar Compounds

Find more compounds similar to Oxacyclotetradecan-2-one.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.