Chemical Properties of Oxonane

InChI

InChI=1S/C8H16O/c1-2-4-6-8-9-7-5-3-1/h1-8H2

InChI Key

YVQBOKCDPCUWSP-UHFFFAOYSA-N

Formula

C8H16O

SMILES

C1CCCCOCCC1

Molecular Weight¹

128.21

Other Names

• Oxacyclononane
• Oxonin, octahydro-

• 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_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	0.2440		Relay (1.0) Calculated Property
ΔfG°	-73.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-292.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.92	kJ/mol	Joback Calculated Property
ΔvapH°	47.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-1.44		Relay (1.0) Calculated Property
logPoct/wat	2.357		Crippen Calculated Property
McVol	118.590	ml/mol	McGowan Calculated Property
Pc	3534.66	kPa	Joback Calculated Property
Inp	[974.00; 974.00]
Inp	974.00		NIST
Inp	974.00		NIST
Tboil	443.89	K	Relay (1.0) Calculated Property
Tc	664.98	K	Relay (1.0) Calculated Property
Tfus	253.04	K	Relay (1.0) Calculated Property
Vc	0.408	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[137.49; 435.33]	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			-7.39700e+01
Coefficient B			8.80600e-01
Coefficient C			-3.94700e-04
Coefficient D			2.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	137.49	J/mol×K	273.00	Calculated Property
Cp,gas	189.20	J/mol×K	353.78	Calculated Property
Cp,gas	236.09	J/mol×K	434.56	Calculated Property
Cp,gas	278.22	J/mol×K	515.33	Calculated Property
Cp,gas	315.67	J/mol×K	596.11	Calculated Property
Cp,gas	348.51	J/mol×K	676.89	Calculated Property
Cp,gas	376.83	J/mol×K	757.67	Calculated Property
Cp,gas	400.69	J/mol×K	838.44	Calculated Property
Cp,gas	420.16	J/mol×K	919.22	Calculated Property
Cp,gas	435.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0749594; 0.0001500]	Pa×s	[207.55; 471.83]	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			-1.36853e+01
Coefficient B			2.30266e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			207.55
Temperature range, max.			471.83
η	0.0749594	Pa×s	207.55	Calculated Property
η	0.0189503	Pa×s	236.91	Calculated Property
η	0.0064882	Pa×s	266.28	Calculated Property
η	0.0027485	Pa×s	295.64	Calculated Property
η	0.0013598	Pa×s	325.01	Calculated Property
η	0.0007560	Pa×s	354.37	Calculated Property
η	0.0004598	Pa×s	383.74	Calculated Property
η	0.0003001	Pa×s	413.10	Calculated Property
η	0.0002073	Pa×s	442.47	Calculated Property
η	0.0001500	Pa×s	471.83	Calculated Property

Similar Compounds

Find more compounds similar to Oxonane.

Sources

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

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