Chemical Properties of Oxacyclohexadecan-2-one (CAS 106-02-5)

InChI

InChI=1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2

InChI Key

FKUPPRZPSYCDRS-UHFFFAOYSA-N

Formula

C15H28O2

SMILES

O=C1CCCCCCCCCCCCCCO1

Molecular Weight¹

240.38

CAS

106-02-5

Other Names

• 1,15-pentadecanolide
• 15-Hydroxypentadecanoic acid, lactone
• 15-Pentadecanolactone
• 15-Pentadecanolide
• 15-hydroxypentadecanoic acid, .epsilon.-lactone
• 15-hydroxypentanoic acid, cyclic ester
• 2-Pentadecalone
• Cyclopentadecanolactone
• Muskolactone
• NSC 36763
• Pentadecan-15-olide
• Pentadecano-15-lactone
• Pentadecanoic acid, 15-hydroxy-, «xi»-lactone
• Pentadecanolactone
• Pentalide
• cyclopentadecanolide
• exaltolide
• muskalactone
• pentadecalactone
• pentadecanolide
• thibetolide

• 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°_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_subH : Enthalpy of sublimation 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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	[-9196.00; -9178.10]	kJ/mol
ΔcH°solid	-9196.00 ± 4.00	kJ/mol	NIST
ΔcH°solid	-9178.10 ± 8.80	kJ/mol	NIST
ΔfG°	-222.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-609.57	kJ/mol	Joback Calculated Property
ΔfH°solid	[-725.50; -709.00]	kJ/mol
ΔfH°solid	-709.00 ± 4.00	kJ/mol	NIST
ΔfH°solid	-725.50 ± 9.00	kJ/mol	NIST
ΔfusH°	11.86	kJ/mol	Joback Calculated Property
ΔvapH°	60.20	kJ/mol	Joback Calculated Property
log10WS	-4.86		Crippen Calculated Property
logPoct/wat	4.615		Crippen Calculated Property
McVol	218.790	ml/mol	McGowan Calculated Property
Pc	2175.46	kPa	Joback Calculated Property
Inp	[1806.00; 1846.00]
Inp	1840.60		NIST
Inp	1828.00		NIST
Inp	Outlier 1806.00		NIST
Inp	1839.00		NIST
Inp	1839.00		NIST
Inp	1821.00		NIST
Inp	1823.00		NIST
Inp	1846.00		NIST
Inp	1844.00		NIST
Inp	1834.00		NIST
Inp	1828.00		NIST
Inp	1834.00		NIST
Inp	1823.00		NIST
Inp	1840.60		NIST
I	[2233.00; 2255.00]
I	2233.00		NIST
I	2255.00		NIST
I	2242.00		NIST
S°solid,1 bar	[482.80; 482.90]	J/mol×K
S°solid,1 bar	482.90	J/mol×K	NIST
S°solid,1 bar	482.80	J/mol×K	NIST
Tboil	704.29	K	Joback Calculated Property
Tc	972.50	K	Joback Calculated Property
Tfus	[310.15; 310.20]	K
Tfus	310.20 ± 1.00	K	NIST
Tfus	310.15 ± 0.60	K	NIST
Ttriple	[308.50; 308.50]	K
Ttriple	308.50 ± 0.10	K	NIST
Ttriple	308.50 ± 1.00	K	NIST
Ttriple	308.50 ± 0.10	K	NIST
Vc	0.757	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[665.09; 800.54]	J/mol×K	[704.29; 972.50]
Cp,gas	665.09	J/mol×K	704.29	Joback Calculated Property
Cp,gas	694.96	J/mol×K	748.99	Joback Calculated Property
Cp,gas	722.06	J/mol×K	793.69	Joback Calculated Property
Cp,gas	746.28	J/mol×K	838.39	Joback Calculated Property
Cp,gas	767.52	J/mol×K	883.09	Joback Calculated Property
Cp,gas	785.64	J/mol×K	927.80	Joback Calculated Property
Cp,gas	800.54	J/mol×K	972.50	Joback Calculated Property
Cp,solid	[444.30; 444.60]	J/mol×K	[298.15; 298.15]
Cp,solid	444.60	J/mol×K	298.15	NIST
Cp,solid	444.30	J/mol×K	298.15	NIST
ΔfusH	[6.99; 27.30]	kJ/mol	[190.00; 308.50]
ΔfusH	6.99	kJ/mol	190.00	NIST
ΔfusH	27.30	kJ/mol	283.00	NIST
ΔfusH	6.99	kJ/mol	308.50	NIST
ΔsubH	81.30	kJ/mol	300.00	NIST
ΔvapH	[74.20; 78.20]	kJ/mol	[315.00; 403.00]
ΔvapH	74.20	kJ/mol	315.00	NIST
ΔvapH	78.20	kJ/mol	403.00	NIST
ΔfusS	[22.65; 96.47]	J/mol×K	[283.00; 308.50]
ΔfusS	96.47	J/mol×K	283.00	NIST
ΔfusS	22.65	J/mol×K	308.50	NIST

Similar Compounds

Find more compounds similar to Oxacyclohexadecan-2-one.

Mixtures

• Oxacyclohexadecan-2-one + Carbon dioxide + Water

Sources

• Crippen Method
• Crippen Method
• High-pressure phase equilibrium data for systems containing carbon dioxide, omega-pentadecalactone, chloroform and water
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.