Chemical Properties of 13-Hexyloxacyclotridec-10-en-2-one (CAS 127062-51-5)

InChI

InChI=1S/C18H32O2/c1-2-3-4-11-14-17-15-12-9-7-5-6-8-10-13-16-18(19)20-17/h9,12,17H,2-8,10-11,13-16H2,1H3/b12-9+

InChI Key

MLZOTJKUDBBLDQ-FMIVXFBMSA-N

Formula

C18H32O2

SMILES

CCCCCCC1CC=CCCCCCCCC(=O)O1

Molecular Weight¹

280.45

CAS

127062-51-5

Other Names

• (E)-13-Hexyloxacyclotridec-10-en-2-one

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-616.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.30	kJ/mol	Joback Calculated Property
ΔvapH°	96.90	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.559		Crippen Calculated Property
McVol	256.760	ml/mol	McGowan Calculated Property
Inp	[2071.20; 2071.20]
Inp	2071.20		NIST
Inp	2071.20		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[771.32; 890.29]	J/mol×K	[709.72; 922.16]
Cp,gas	771.32	J/mol×K	709.72	Joback Calculated Property
Cp,gas	795.36	J/mol×K	745.13	Joback Calculated Property
Cp,gas	817.72	J/mol×K	780.53	Joback Calculated Property
Cp,gas	838.39	J/mol×K	815.94	Joback Calculated Property
Cp,gas	857.37	J/mol×K	851.34	Joback Calculated Property
Cp,gas	874.67	J/mol×K	886.75	Joback Calculated Property
Cp,gas	890.29	J/mol×K	922.16	Joback Calculated Property
η	[0.0000191; 0.0063514]	Pa×s	[325.49; 709.72]
η	0.0063514	Pa×s	325.49	Joback Calculated Property
η	0.0010895	Pa×s	389.53	Joback Calculated Property
η	0.0003075	Pa×s	453.57	Joback Calculated Property
η	0.0001187	Pa×s	517.61	Joback Calculated Property
η	0.0000565	Pa×s	581.64	Joback Calculated Property
η	0.0000311	Pa×s	645.68	Joback Calculated Property
η	0.0000191	Pa×s	709.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 13-Hexyloxacyclotridec-10-en-2-one.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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