- InChI
- InChI=1S/C4H7I/c1-2-3-4-5/h2-3H,4H2,1H3
- InChI Key
- LOPHPAWGOMDGMA-UHFFFAOYSA-N
- Formula
- C4H7I
- SMILES
- CC=CCI
- Molecular Weight1
- 182.00
- CAS
- 627-24-7
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 | 0.2055 | Relay (1.0) Calculated Property | |
| ΔfG° | 121.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 52.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.998 | Crippen Calculated Property | |
| McVol | 88.740 | ml/mol | McGowan Calculated Property |
| Pc | 4046.64 | kPa | Joback Calculated Property |
| Tboil | 404.51 | K | Relay (1.0) Calculated Property |
| Tc | 623.94 | K | Relay (1.0) Calculated Property |
| Tfus | 211.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.314 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [93.41; 204.28] | 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 | -3.23900e+00 | |||
| Coefficient B | 4.42820e-01 | |||
| Coefficient C | -3.59000e-04 | |||
| Coefficient D | 1.23700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 93.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 113.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 131.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 146.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 159.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 170.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 179.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 188.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 196.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 204.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055168; 0.0002706] | Pa×s | [187.82; 422.85] |
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 | -1.06240e+01 | |||
| Coefficient B | 1.01874e+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. | 187.82 | |||
| Temperature range, max. | 422.85 | |||
| η | 0.0055168 | Pa×s | 187.82 | Calculated Property |
| η | 0.0028454 | Pa×s | 213.93 | Calculated Property |
| η | 0.0016950 | Pa×s | 240.05 | Calculated Property |
| η | 0.0011177 | Pa×s | 266.16 | Calculated Property |
| η | 0.0007940 | Pa×s | 292.28 | Calculated Property |
| η | 0.0005966 | Pa×s | 318.39 | Calculated Property |
| η | 0.0004681 | Pa×s | 344.51 | Calculated Property |
| η | 0.0003800 | Pa×s | 370.62 | Calculated Property |
| η | 0.0003171 | Pa×s | 396.74 | Calculated Property |
| η | 0.0002706 | Pa×s | 422.85 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 575.99] | kPa | [306.12; 428.70] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.88485e+01 | |||
| Coefficient B | -4.68362e+03 | |||
| Coefficient C | -5.37820e+01 | |||
| Temperature range, min. | 306.12 | |||
| Temperature range, max. | 428.70 | |||
| Pvap | 1.33 | kPa | 306.12 | Calculated Property |
| Pvap | 3.45 | kPa | 319.74 | Calculated Property |
| Pvap | 8.13 | kPa | 333.36 | Calculated Property |
| Pvap | 17.71 | kPa | 346.98 | Calculated Property |
| Pvap | 35.99 | kPa | 360.60 | Calculated Property |
| Pvap | 68.87 | kPa | 374.22 | Calculated Property |
| Pvap | 124.97 | kPa | 387.84 | Calculated Property |
| Pvap | 216.44 | kPa | 401.46 | Calculated Property |
| Pvap | 359.66 | kPa | 415.08 | Calculated Property |
| Pvap | 575.99 | kPa | 428.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Iodo-2-butene.
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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