Chemical Properties of Cyclohexene, 1-iodo- (CAS 17497-53-9)

InChI

InChI=1S/C6H9I/c7-6-4-2-1-3-5-6/h4H,1-3,5H2

InChI Key

CAROGICRCNKEOD-UHFFFAOYSA-N

Formula

C6H9I

SMILES

IC1=CCCCC1

Molecular Weight¹

208.04

CAS

17497-53-9

Other Names

• 1-Iodocyclohexene
• 1-Iodo-1-cyclohexene
• 1-Iodocyclohex-1-ene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• I_p : 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
ΔfH°gas	118.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.30	kJ/mol	Joback Calculated Property
ΔvapH°	46.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-3.62		Relay (1.0) Calculated Property
logPoct/wat	2.879		Crippen Calculated Property
McVol	106.060	ml/mol	McGowan Calculated Property
Pc	4124.99	kPa	Joback Calculated Property
Inp	[1079.00; 1079.00]
Inp	1079.00		NIST
Inp	1079.00		NIST
Inp	1079.00		NIST
Ip	[1484.00; 1484.00]
Ip	1484.00		NIST
Ip	1484.00		NIST
Ip	1484.00		NIST
Ip	1484.00		NIST
Tboil	452.72	K	Relay (1.0) Calculated Property
Tc	710.03	K	Relay (1.0) Calculated Property
Tfus	197.32	K	Relay (1.0) Calculated Property
Vc	0.364	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[105.53; 282.12]	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			-4.03400e+01
Coefficient B			6.45900e-01
Coefficient C			-4.40640e-04
Coefficient D			1.17200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	105.53	J/mol×K	273.00	Calculated Property
Cp,gas	138.20	J/mol×K	353.78	Calculated Property
Cp,gas	166.75	J/mol×K	434.56	Calculated Property
Cp,gas	191.53	J/mol×K	515.33	Calculated Property
Cp,gas	212.93	J/mol×K	596.11	Calculated Property
Cp,gas	231.32	J/mol×K	676.89	Calculated Property
Cp,gas	247.06	J/mol×K	757.67	Calculated Property
Cp,gas	260.53	J/mol×K	838.44	Calculated Property
Cp,gas	272.09	J/mol×K	919.22	Calculated Property
Cp,gas	282.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066498; 0.0002919]	Pa×s	[240.34; 496.64]	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			-1.10703e+01
Coefficient B			1.45576e+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.			240.34
Temperature range, max.			496.64
η	0.0066498	Pa×s	240.34	Calculated Property
η	0.0035005	Pa×s	268.82	Calculated Property
η	0.0020837	Pa×s	297.30	Calculated Property
η	0.0013581	Pa×s	325.77	Calculated Property
η	0.0009483	Pa×s	354.25	Calculated Property
η	0.0006985	Pa×s	382.73	Calculated Property
η	0.0005367	Pa×s	411.21	Calculated Property
η	0.0004267	Pa×s	439.69	Calculated Property
η	0.0003489	Pa×s	468.16	Calculated Property
η	0.0002919	Pa×s	496.64	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 1-iodo-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.