- 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-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.1109 | Relay (... Calculated Property | |
| ΔfG° | 255.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 271.39 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 10.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.99 | kJ/mol | Relay (... Calculated Property |
| IE | 9.63 | eV | Relay (... Calculated Property |
| log10WS | -1.51 | Relay (... Calculated Property | |
| logPoct/wat | 1.055 | Crippen Calculated Property | |
| McVol | 70.350 | ml/mol | McGowan Calculated Property |
| Pc | 5251.00 | kPa | Joback Calculated Property |
| Tboil | 385.23 | K | Relay (... Calculated Property |
| Tc | 618.19 | K | Relay (... Calculated Property |
| Tfus | 234.73 | K | Relay (... Calculated Property |
| Vc | 0.246 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [84.64; 104.11] | J/mol×K | [351.30; 573.63] | 
|
| Cp,gas | 84.64 | J/mol×K | 351.30 | Joback Calculated Property |
| Cp,gas | 88.63 | J/mol×K | 388.36 | Joback Calculated Property |
| Cp,gas | 92.29 | J/mol×K | 425.41 | Joback Calculated Property |
| Cp,gas | 95.64 | J/mol×K | 462.47 | Joback Calculated Property |
| Cp,gas | 98.71 | J/mol×K | 499.52 | Joback Calculated Property |
| Cp,gas | 101.53 | J/mol×K | 536.58 | Joback Calculated Property |
| Cp,gas | 104.11 | J/mol×K | 573.63 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [285.52; 414.78] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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