Chemical Properties of Oxa-2-cyclotetradecanone (CAS 5637-97-8)

InChI

InChI=1S/C17H32O2/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19-17/h1-16H2

InChI Key

FXQOOHFUXNQCKQ-UHFFFAOYSA-N

Formula

C17H32O2

SMILES

O=C1CCCCCCCCCCCCCCCCO1

Molecular Weight¹

268.43

CAS

5637-97-8

• 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).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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	0.3551		Relay (1.0) Calculated Property
ΔfG°	-306.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-683.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.92	kJ/mol	Joback Calculated Property
ΔvapH°	88.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-4.72		Relay (1.0) Calculated Property
logPoct/wat	5.395		Crippen Calculated Property
McVol	246.970	ml/mol	McGowan Calculated Property
Pc	1800.03	kPa	Joback Calculated Property
Inp	[2028.00; 2051.00]
Inp	2042.30		NIST
Inp	2028.00		NIST
Inp	2042.30		NIST
Inp	2051.00		NIST
Inp	2028.00		NIST
Inp	2051.00		NIST
I	[2433.00; 2433.00]
I	2433.00		NIST
I	2433.00		NIST
Tboil	693.74	K	Relay (1.0) Calculated Property
Tc	884.57	K	Relay (1.0) Calculated Property
Tfus	327.94	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[293.15; 900.69]	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			-1.09910e+02
Coefficient B			1.61660e+00
Coefficient C			-4.78800e-04
Coefficient D			-1.27200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	293.15	J/mol×K	273.00	Calculated Property
Cp,gas	396.45	J/mol×K	353.78	Calculated Property
Cp,gas	491.74	J/mol×K	434.56	Calculated Property
Cp,gas	578.62	J/mol×K	515.33	Calculated Property
Cp,gas	656.68	J/mol×K	596.11	Calculated Property
Cp,gas	725.52	J/mol×K	676.89	Calculated Property
Cp,gas	784.75	J/mol×K	757.67	Calculated Property
Cp,gas	833.95	J/mol×K	838.44	Calculated Property
Cp,gas	872.74	J/mol×K	919.22	Calculated Property
Cp,gas	900.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0359040; 0.0000050]	Pa×s	[300.10; 673.75]	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			-1.93434e+01
Coefficient B			4.80654e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			300.10
Temperature range, max.			673.75
η	0.0359040	Pa×s	300.10	Calculated Property
η	0.0051263	Pa×s	341.62	Calculated Property
η	0.0011160	Pa×s	383.13	Calculated Property
η	0.0003273	Pa×s	424.65	Calculated Property
η	0.0001195	Pa×s	466.16	Calculated Property
η	0.0000514	Pa×s	507.68	Calculated Property
η	0.0000251	Pa×s	549.20	Calculated Property
η	0.0000136	Pa×s	590.71	Calculated Property
η	0.0000080	Pa×s	632.23	Calculated Property
η	0.0000050	Pa×s	673.75	Calculated Property

Similar Compounds

Find more compounds similar to Oxa-2-cyclotetradecanone.

Sources

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

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