Chemical Properties of Oxacycloheptadec-8-en-2-one, (8Z)- (CAS 123-69-3)

InChI

InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h2,4H,1,3,5-15H2/b4-2-

InChI Key

NVIPUOMWGQAOIT-RQOWECAXSA-N

Formula

C16H28O2

SMILES

O=C1CCCCCC=CCCCCCCCCO1

Molecular Weight¹

252.39

CAS

123-69-3

Other Names

• Musk ambrette
• Ambrettolid
• Ambrettolide
• Musk ambrette, natural
• Musk natural
• Oxacycloheptadec-8-en-2-one, (Z)-
• Natural musk ambrette
• (Z)-7-Hexadecen-16-olide
• 16-Hydroxy-7-hexadecenoic acid lactone, cis-
• hexadec-7-en-16-olide

• 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).
• IE : Ionization energy (eV).
• 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
ΔfH°gas	-575.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.65	kJ/mol	Joback Calculated Property
ΔvapH°	87.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
logPoct/wat	4.781		Crippen Calculated Property
McVol	228.580	ml/mol	McGowan Calculated Property
Pc	1975.31	kPa	Joback Calculated Property
Inp	[1925.00; 1936.00]
Inp	1927.50		NIST
Inp	1936.00		NIST
Inp	1925.00		NIST
Inp	1927.50		NIST
Inp	1925.00		NIST
I	[2475.00; 2475.00]
I	2475.00		NIST
I	2475.00		NIST
Tboil	679.87	K	Relay (1.0) Calculated Property
Tc	861.08	K	Relay (1.0) Calculated Property
Tfus	322.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[666.22; 796.71]	J/mol×K	[685.71; 934.39]
Cp,gas	666.22	J/mol×K	685.71	Joback Calculated Property
Cp,gas	694.02	J/mol×K	727.16	Joback Calculated Property
Cp,gas	719.46	J/mol×K	768.60	Joback Calculated Property
Cp,gas	742.49	J/mol×K	810.05	Joback Calculated Property
Cp,gas	763.07	J/mol×K	851.49	Joback Calculated Property
Cp,gas	781.16	J/mol×K	892.94	Joback Calculated Property
Cp,gas	796.71	J/mol×K	934.39	Joback Calculated Property
η	[0.0000062; 0.0336253]	Pa×s	[293.11; 685.71]
η	0.0336253	Pa×s	293.11	Joback Calculated Property
η	0.0021678	Pa×s	358.54	Joback Calculated Property
η	0.0003257	Pa×s	423.98	Joback Calculated Property
η	0.0000813	Pa×s	489.41	Joback Calculated Property
η	0.0000281	Pa×s	554.84	Joback Calculated Property
η	0.0000122	Pa×s	620.28	Joback Calculated Property
η	0.0000062	Pa×s	685.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxacycloheptadec-8-en-2-one, (8Z)-.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.