Chemical Properties of Propane, 1-chloro-3-iodo- (CAS 6940-76-7)

InChI

InChI=1S/C3H6ClI/c4-2-1-3-5/h1-3H2

InChI Key

SFOYQZYQTQDRIY-UHFFFAOYSA-N

Formula

C3H6ClI

SMILES

ClCCCI

Molecular Weight¹

204.44

CAS

6940-76-7

Other Names

• 1-Chloro-3-iodopropane
• 3-Chloropropyl iodide

• ω : Acentric Factor.
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Cheméo can also estimate Standard Gibbs free energy of formation 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[99.61; 191.54]	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			2.47430e+01
Coefficient B			3.34600e-01
Coefficient C			-2.41200e-04
Coefficient D			7.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	99.61	J/mol×K	273.00	Calculated Property
Cp,gas	116.18	J/mol×K	353.78	Calculated Property
Cp,gas	130.62	J/mol×K	434.56	Calculated Property
Cp,gas	143.16	J/mol×K	515.33	Calculated Property
Cp,gas	154.04	J/mol×K	596.11	Calculated Property
Cp,gas	163.48	J/mol×K	676.89	Calculated Property
Cp,gas	171.72	J/mol×K	757.67	Calculated Property
Cp,gas	178.99	J/mol×K	838.44	Calculated Property
Cp,gas	185.52	J/mol×K	919.22	Calculated Property
Cp,gas	191.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053853; 0.0003670]	Pa×s	[211.55; 429.53]	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			-1.05167e+01
Coefficient B			1.11966e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			211.55
Temperature range, max.			429.53
η	0.0053853	Pa×s	211.55	Calculated Property
η	0.0031267	Pa×s	235.77	Calculated Property
η	0.0020089	Pa×s	259.99	Calculated Property
η	0.0013918	Pa×s	284.21	Calculated Property
η	0.0010214	Pa×s	308.43	Calculated Property
η	0.0007842	Pa×s	332.65	Calculated Property
η	0.0006240	Pa×s	356.87	Calculated Property
η	0.0005112	Pa×s	381.09	Calculated Property
η	0.0004289	Pa×s	405.31	Calculated Property
η	0.0003670	Pa×s	429.53	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1-chloro-3-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.
These property values are available through the Cheméo API. A free account gives you an access key.