Chemical Properties of 1-Propyne, 3-iodo- (CAS 659-86-9)

InChI

InChI=1S/C3H3I/c1-2-3-4/h1H,3H2

InChI Key

WGCICQJXVYFFCA-UHFFFAOYSA-N

Formula

C3H3I

SMILES

C#CCI

Molecular Weight¹

165.96

CAS

659-86-9

Other Names

• 3-Iodo-1-propyne
• 3-Iodopropyne
• Propargyl iodide
• Propyne, 3-iodo-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[75.02; 125.59]	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			2.56310e+01
Coefficient B			2.33900e-01
Coefficient C			-2.16730e-04
Coefficient D			8.27900e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	75.02	J/mol×K	273.00	Calculated Property
Cp,gas	84.92	J/mol×K	353.78	Calculated Property
Cp,gas	93.14	J/mol×K	434.56	Calculated Property
Cp,gas	99.94	J/mol×K	515.33	Calculated Property
Cp,gas	105.58	J/mol×K	596.11	Calculated Property
Cp,gas	110.33	J/mol×K	676.89	Calculated Property
Cp,gas	114.44	J/mol×K	757.67	Calculated Property
Cp,gas	118.18	J/mol×K	838.44	Calculated Property
Cp,gas	121.81	J/mol×K	919.22	Calculated Property
Cp,gas	125.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[285.52; 414.78]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.45022e+01
Coefficient B			-3.36124e+03
Coefficient C			-4.90560e+01
Temperature range, min.			285.52
Temperature range, max.			414.78
Pvap	1.33	kPa	285.52	Calculated Property
Pvap	3.01	kPa	299.88	Calculated Property
Pvap	6.22	kPa	314.24	Calculated Property
Pvap	11.92	kPa	328.61	Calculated Property
Pvap	21.46	kPa	342.97	Calculated Property
Pvap	36.55	kPa	357.33	Calculated Property
Pvap	59.39	kPa	371.69	Calculated Property
Pvap	92.59	kPa	386.06	Calculated Property
Pvap	139.19	kPa	400.42	Calculated Property
Pvap	202.66	kPa	414.78	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propyne, 3-iodo-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.