- InChI
- InChI=1S/C3H5I/c1-2-3-4/h2H,1,3H2
- InChI Key
- HFEHLDPGIKPNKL-UHFFFAOYSA-N
- Formula
- C3H5I
- SMILES
- C=CCI
- Molecular Weight1
- 167.98
- CAS
- 556-56-9
- Other Names
-
- 2-Propene, 1-iodo
- 3-Iodo-1-propene
- 3-Iodopropene
- 3-Iodopropylene
- Allyl iodide
- CH2CHCH2I
- Propene, 3-iodo-
- UN 1723
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2020 | KDB | |
| ΔfG° | 120.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [89.80; 99.50] | kJ/mol |
|
| ΔfH°gas | 99.50 | kJ/mol | NIST |
| ΔfH°gas | 89.80 ± 1.40 | kJ/mol | NIST |
| ΔfH°gas | 93.30 ± 6.30 | kJ/mol | NIST |
| ΔfH°liquid | 55.20 ± 5.40 | kJ/mol | NIST |
| ΔfusH° | 6.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.00 ± 2.00 | kJ/mol | NIST |
| IE | [9.25; 9.37] | eV |
|
| IE | 9.27 | eV | NIST |
| IE | 9.30 | eV | NIST |
| IE | Outlier 9.37 | eV | NIST |
| IE | 9.30 | eV | NIST |
| IE | 9.25 | eV | NIST |
| IE | 9.32 | eV | NIST |
| IE | 9.30 | eV | NIST |
| IE | 9.27 | eV | NIST |
| log10WS | -1.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.607 | Crippen Calculated Property | |
| McVol | 74.650 | ml/mol | McGowan Calculated Property |
| Pc | 4530.00 | kPa | KDB |
| Inp | [687.00; 688.00] |
|
|
| Inp | 688.00 | NIST | |
| Inp | 687.00 | NIST | |
| Inp | 688.00 | NIST | |
| Inp | 687.00 | NIST | |
| Tboil | [374.95; 376.20] | K |
|
| Tboil | 375.20 | K | KDB |
| Tboil | 376.20 | K | NIST |
| Tboil | 375.00 | K | NIST |
| Tboil | 374.95 ± 0.35 | K | NIST |
| Tboil | 375.00 ± 1.00 | K | NIST |
| Tc | 595.80 | K | KDB |
| Tfus | [173.90; 176.00] | K |
|
| Tfus | 174.00 | K | KDB |
| Tfus | 176.00 ± 0.50 | K | NIST |
| Tfus | 173.90 ± 0.50 | K | NIST |
| Vc | 0.273 | m3/kmol | KDB |
| Zc | 0.2491880 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [76.39; 154.76] | 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 | 8.86100e+00 | |||
| Coefficient B | 3.07800e-01 | |||
| Coefficient C | -2.43700e-04 | |||
| Coefficient D | 8.18000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 76.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 90.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 103.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 113.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 123.07 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 130.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 137.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 143.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 149.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 154.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053813; 0.0002846] | Pa×s | [174.63; 417.06] |
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 | -1.02822e+01 | |||
| Coefficient B | 8.83180e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 174.63 | |||
| Temperature range, max. | 417.06 | |||
| η | 0.0053813 | Pa×s | 174.63 | Calculated Property |
| η | 0.0027376 | Pa×s | 201.57 | Calculated Property |
| η | 0.0016333 | Pa×s | 228.51 | Calculated Property |
| η | 0.0010866 | Pa×s | 255.44 | Calculated Property |
| η | 0.0007813 | Pa×s | 282.38 | Calculated Property |
| η | 0.0005950 | Pa×s | 309.31 | Calculated Property |
| η | 0.0004734 | Pa×s | 336.25 | Calculated Property |
| η | 0.0003896 | Pa×s | 363.19 | Calculated Property |
| η | 0.0003294 | Pa×s | 390.12 | Calculated Property |
| η | 0.0002846 | Pa×s | 417.06 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [282.13; 398.67] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55144e+01 | |||
| Coefficient B | -3.60393e+03 | |||
| Coefficient C | -4.54440e+01 | |||
| Temperature range, min. | 282.13 | |||
| Temperature range, max. | 398.67 | |||
| Pvap | 1.33 | kPa | 282.13 | Calculated Property |
| Pvap | 2.94 | kPa | 295.08 | Calculated Property |
| Pvap | 5.99 | kPa | 308.03 | Calculated Property |
| Pvap | 11.41 | kPa | 320.98 | Calculated Property |
| Pvap | 20.52 | kPa | 333.93 | Calculated Property |
| Pvap | 35.10 | kPa | 346.87 | Calculated Property |
| Pvap | 57.44 | kPa | 359.82 | Calculated Property |
| Pvap | 90.40 | kPa | 372.77 | Calculated Property |
| Pvap | 137.45 | kPa | 385.72 | Calculated Property |
| Pvap | 202.65 | kPa | 398.67 | Calculated Property |
| Pvap | [4.02; 4489.68] | kPa | [293.15; 595.81] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 7.85269e+01 | |||
| Coefficient B | -7.03924e+03 | |||
| Coefficient C | -9.43675e+00 | |||
| Coefficient D | 5.62626e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 293.15 | |||
| Temperature range, max. | 595.81 | |||
| Pvap | 4.02 | kPa | 293.15 | Calculated Property |
| Pvap | 19.19 | kPa | 326.78 | Calculated Property |
| Pvap | 64.72 | kPa | 360.41 | Calculated Property |
| Pvap | 170.35 | kPa | 394.04 | Calculated Property |
| Pvap | 374.37 | kPa | 427.67 | Calculated Property |
| Pvap | 719.85 | kPa | 461.29 | Calculated Property |
| Pvap | 1252.38 | kPa | 494.92 | Calculated Property |
| Pvap | 2020.32 | kPa | 528.55 | Calculated Property |
| Pvap | 3077.78 | kPa | 562.18 | Calculated Property |
| Pvap | 4489.68 | kPa | 595.81 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 3-iodo-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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