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

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5392		Relay (1.0) Calculated Property
ΔfG°	-138.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-616.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.22	kJ/mol	Joback Calculated Property
ΔvapH°	94.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-5.18		Relay (1.0) Calculated Property
logPoct/wat	5.559		Crippen Calculated Property
McVol	256.760	ml/mol	McGowan Calculated Property
Pc	1594.89	kPa	Joback Calculated Property
Inp	[2071.20; 2071.20]
Inp	2071.20		NIST
Inp	2071.20		NIST
Tboil	677.38	K	Relay (1.0) Calculated Property
Tc	840.72	K	Relay (1.0) Calculated Property
Tfus	296.58	K	Relay (1.0) Calculated Property
Vc	0.867	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[809.59; 928.30]	J/mol×K	[754.61; 986.12]
Cp,gas	809.59	J/mol×K	754.61	Joback Calculated Property
Cp,gas	834.81	J/mol×K	793.19	Joback Calculated Property
Cp,gas	857.91	J/mol×K	831.78	Joback Calculated Property
Cp,gas	878.85	J/mol×K	870.36	Joback Calculated Property
Cp,gas	897.58	J/mol×K	908.95	Joback Calculated Property
Cp,gas	914.08	J/mol×K	947.53	Joback Calculated Property
Cp,gas	928.30	J/mol×K	986.12	Joback Calculated Property

Similar Compounds

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

Sources

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

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