Chemical Properties of trans-Cyclononene (CAS 3958-38-1)

InChI

InChI=1S/C9H16/c1-2-4-6-8-9-7-5-3-1/h1-2H,3-9H2/b2-1+

InChI Key

BESIOWGPXPAVOS-OWOJBTEDSA-N

Formula

C9H16

SMILES

C1=CCCCCCCC1

Molecular Weight¹

124.22

CAS

3958-38-1

Other Names

• Cyclononene, (E)-

• 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	0.1843		Relay (1.0) Calculated Property
ΔfG°	50.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-87.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	4.75	kJ/mol	Joback Calculated Property
ΔvapH°	47.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-3.88		Relay (1.0) Calculated Property
logPoct/wat	3.287		Crippen Calculated Property
McVol	122.510	ml/mol	McGowan Calculated Property
Pc	3329.68	kPa	Joback Calculated Property
Inp	[1014.50; 1024.00]
Inp	1014.50		NIST
Inp	1024.00		NIST
Inp	1024.00		NIST
Inp	1024.00		NIST
Tboil	445.90	K	Relay (1.0) Calculated Property
Tc	644.36	K	Relay (1.0) Calculated Property
Tfus	235.30	K	Relay (1.0) Calculated Property
Vc	0.427	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[134.87; 436.10]	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			-8.44200e+01
Coefficient B			9.22600e-01
Coefficient C			-4.50280e-04
Coefficient D			4.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	134.87	J/mol×K	273.00	Calculated Property
Cp,gas	187.75	J/mol×K	353.78	Calculated Property
Cp,gas	235.43	J/mol×K	434.56	Calculated Property
Cp,gas	278.04	J/mol×K	515.33	Calculated Property
Cp,gas	315.76	J/mol×K	596.11	Calculated Property
Cp,gas	348.72	J/mol×K	676.89	Calculated Property
Cp,gas	377.08	J/mol×K	757.67	Calculated Property
Cp,gas	401.00	J/mol×K	838.44	Calculated Property
Cp,gas	420.62	J/mol×K	919.22	Calculated Property
Cp,gas	436.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0725595; 0.0001306]	Pa×s	[193.01; 468.54]	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			-1.33699e+01
Coefficient B			2.07419e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			193.01
Temperature range, max.			468.54
η	0.0725595	Pa×s	193.01	Calculated Property
η	0.0166628	Pa×s	223.62	Calculated Property
η	0.0054536	Pa×s	254.24	Calculated Property
η	0.0022692	Pa×s	284.85	Calculated Property
η	0.0011194	Pa×s	315.47	Calculated Property
η	0.0006257	Pa×s	346.08	Calculated Property
η	0.0003845	Pa×s	376.70	Calculated Property
η	0.0002542	Pa×s	407.31	Calculated Property
η	0.0001780	Pa×s	437.93	Calculated Property
η	0.0001306	Pa×s	468.54	Calculated Property

Similar Compounds

Find more compounds similar to trans-Cyclononene.

Sources

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

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