Chemical Properties of Oxacyclotridecan-2-one

InChI

InChI=1S/C12H22O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h1-11H2

InChI Key

DQGSJTVMODPFBK-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

O=C1CCCCCCCCCCCO1

Molecular Weight¹

198.31

Other Names

• Dodecanolactone

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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
ω	0.3473		Relay (1.0) Calculated Property
ΔfG°	-288.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-540.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-611.00 ± 3.00	kJ/mol	NIST
ΔfusH°	11.47	kJ/mol	Joback Calculated Property
ΔvapH°	[70.50; 71.00]	kJ/mol
ΔvapH°	71.00 ± 1.00	kJ/mol	NIST
ΔvapH°	71.00	kJ/mol	NIST
ΔvapH°	70.50 ± 1.70	kJ/mol	NIST
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-3.07		Relay (1.0) Calculated Property
logPoct/wat	3.444		Crippen Calculated Property
McVol	176.520	ml/mol	McGowan Calculated Property
Pc	2495.01	kPa	Joback Calculated Property
Tboil	612.96	K	Relay (1.0) Calculated Property
Tc	818.32	K	Relay (1.0) Calculated Property
Tfus	307.60	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[454.02; 577.05]	J/mol×K	[577.95; 812.22]
Cp,gas	454.02	J/mol×K	577.95	Joback Calculated Property
Cp,gas	478.44	J/mol×K	616.99	Joback Calculated Property
Cp,gas	501.31	J/mol×K	656.04	Joback Calculated Property
Cp,gas	522.62	J/mol×K	695.08	Joback Calculated Property
Cp,gas	542.35	J/mol×K	734.13	Joback Calculated Property
Cp,gas	560.50	J/mol×K	773.17	Joback Calculated Property
Cp,gas	577.05	J/mol×K	812.22	Joback Calculated Property
η	[0.0000454; 0.0429174]	Pa×s	[261.35; 577.95]
η	0.0429174	Pa×s	261.35	Joback Calculated Property
η	0.0052497	Pa×s	314.12	Joback Calculated Property
η	0.0011752	Pa×s	366.88	Joback Calculated Property
η	0.0003833	Pa×s	419.65	Joback Calculated Property
η	0.0001606	Pa×s	472.42	Joback Calculated Property
η	0.0000801	Pa×s	525.18	Joback Calculated Property
η	0.0000454	Pa×s	577.95	Joback Calculated Property
ΔvapH	64.20 ± 1.10	kJ/mol	390.00	NIST

Similar Compounds

Find more compounds similar to Oxacyclotridecan-2-one.

Sources

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

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