Chemical Properties of Oxacyclododecan-2-one (CAS 1725-03-7)

InChI

InChI=1S/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2

InChI Key

MVOSYKNQRRHGKX-UHFFFAOYSA-N

Formula

C11H20O2

SMILES

O=C1CCCCCCCCCCO1

Molecular Weight¹

184.28

CAS

1725-03-7

Other Names

• 11-Hydroxyundecanoic acid, lactone

• 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_fusH : Enthalpy of fusion 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).
• 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).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3456		Relay (1.0) Calculated Property
ΔfG°	-284.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-517.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-583.00 ± 2.00	kJ/mol	NIST
ΔfusH°	10.98	kJ/mol	Joback Calculated Property
ΔvapH°	[66.00; 66.20]	kJ/mol
ΔvapH°	66.00 ± 1.00	kJ/mol	NIST
ΔvapH°	66.00	kJ/mol	NIST
ΔvapH°	66.20 ± 1.30	kJ/mol	NIST
IE	9.52	eV	Relay (1.0) Calculated Property
log10WS	-2.69		Relay (1.0) Calculated Property
logPoct/wat	3.054		Crippen Calculated Property
McVol	162.430	ml/mol	McGowan Calculated Property
Pc	2681.86	kPa	Joback Calculated Property
Tboil	595.17	K	Relay (1.0) Calculated Property
Tc	804.85	K	Relay (1.0) Calculated Property
Tfus	301.07	K	Relay (1.0) Calculated Property
Ttriple	275.33 ± 0.01	K	NIST

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
ΔfusH	12.61	kJ/mol	275.30	NIST
ΔvapH	[57.70; 70.50]	kJ/mol	[376.00; 383.00]
ΔvapH	57.70 ± 0.80	kJ/mol	376.00	NIST
ΔvapH	70.50	kJ/mol	383.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.22; 580.47]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.37300e+01
Coefficient B			1.10420e+00
Coefficient C			-4.30800e-04
Coefficient D			-1.92000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.22	J/mol×K	273.00	Calculated Property
Cp,gas	262.14	J/mol×K	353.78	Calculated Property
Cp,gas	323.18	J/mol×K	434.56	Calculated Property
Cp,gas	378.27	J/mol×K	515.33	Calculated Property
Cp,gas	427.34	J/mol×K	596.11	Calculated Property
Cp,gas	470.35	J/mol×K	676.89	Calculated Property
Cp,gas	507.23	J/mol×K	757.67	Calculated Property
Cp,gas	537.92	J/mol×K	838.44	Calculated Property
Cp,gas	562.35	J/mol×K	919.22	Calculated Property
Cp,gas	580.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0386093; 0.0000736]	Pa×s	[253.60; 546.91]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.49315e+01
Coefficient B			2.96136e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			253.60
Temperature range, max.			546.91
η	0.0386093	Pa×s	253.60	Calculated Property
η	0.0102139	Pa×s	286.19	Calculated Property
η	0.0035463	Pa×s	318.78	Calculated Property
η	0.0014982	Pa×s	351.37	Calculated Property
η	0.0007326	Pa×s	383.96	Calculated Property
η	0.0004007	Pa×s	416.55	Calculated Property
η	0.0002392	Pa×s	449.14	Calculated Property
η	0.0001531	Pa×s	481.73	Calculated Property
η	0.0001037	Pa×s	514.32	Calculated Property
η	0.0000736	Pa×s	546.91	Calculated Property

Similar Compounds

Find more compounds similar to Oxacyclododecan-2-one.

Sources

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

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