- InChI
- InChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3
- InChI Key
- PVWOIHVRPOBWPI-UHFFFAOYSA-N
- Formula
- C3H7I
- SMILES
- CCCI
- Molecular Weight1
- 169.99
- CAS
- 107-08-4
- Other Names
-
- 1-Jodpropan
- 1-iodopropane
- n-C3H7I
- n-Propyl iodide
- propyl iodide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : 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 | 0.2240 | KDB | |
| ΔfG° | 32.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -31.00 | kJ/mol | NIST |
| ΔfH°liquid | -65.70 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 7.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [36.25; 36.32] | kJ/mol |
|
| ΔvapH° | 36.32 | kJ/mol | NIST |
| ΔvapH° | 36.30 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 36.25 ± 0.04 | kJ/mol | NIST |
| IE | [9.25; 9.50] | eV |
|
| IE | 9.26 ± 0.01 | eV | NIST |
| IE | 9.28 | eV | NIST |
| IE | 9.26 | eV | NIST |
| IE | 9.25 ± 0.01 | eV | NIST |
| IE | 9.26 | eV | NIST |
| IE | 9.26 | eV | NIST |
| IE | 9.26 | eV | NIST |
| IE | 9.27 | eV | NIST |
| IE | 9.27 | eV | NIST |
| IE | 9.26 ± 0.01 | eV | NIST |
| IE | 9.25 | eV | NIST |
| IE | 9.27 | eV | NIST |
| IE | 9.27 | eV | NIST |
| IE | 9.26 ± 0.01 | eV | NIST |
| IE | Outlier 9.50 | eV | NIST |
| log10WS | [-2.29; -2.29] |
|
|
| log10WS | -2.29 | Aq. Solubility Prediction | |
| log10WS | -2.29 | Estimated Solubility | |
| logPoct/wat | 1.831 | Crippen Calculated Property | |
| McVol | 78.950 | ml/mol | McGowan Calculated Property |
| Pc | 4280.00 | kPa | KDB |
| Inp | [698.00; 729.00] |
|
|
| Inp | 715.00 | NIST | |
| Inp | 720.30 | NIST | |
| Inp | Outlier 729.00 | NIST | |
| Inp | 719.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 719.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 705.00 | NIST | |
| I | [965.00; 975.00] |
|
|
| I | 971.00 | NIST | |
| I | 965.00 | NIST | |
| I | 975.00 | NIST | |
| I | 971.00 | NIST | |
| Tboil | [374.70; 376.20] | K |
|
| Tboil | 375.60 | K | KDB |
| Tboil | Outlier 374.70 | K | NIST |
| Tboil | 376.20 | K | NIST |
| Tboil | 375.70 | K | NIST |
| Tboil | 375.20 ± 1.00 | K | NIST |
| Tboil | 375.70 ± 2.00 | K | NIST |
| Tboil | 375.58 ± 0.50 | K | NIST |
| Tboil | 375.60 ± 0.50 | K | NIST |
| Tboil | 375.55 ± 0.20 | K | NIST |
| Tc | 589.40 | K | KDB |
| Tfus | [171.75; 172.07] | K |
|
| Tfus | 172.00 | K | KDB |
| Tfus | 172.07 | K | Aq. Solubility Prediction |
| Tfus | 171.75 ± 0.30 | K | NIST |
| Vc | 0.291 | m3/kmol | KDB |
| Zc | 0.2545870 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [104.48; 138.46] | J/mol×K | [361.18; 566.82] |
|
| Cp,gas | 104.48 | J/mol×K | 361.18 | Joback Calculated Property |
| Cp,gas | 110.94 | J/mol×K | 395.45 | Joback Calculated Property |
| Cp,gas | 117.06 | J/mol×K | 429.73 | Joback Calculated Property |
| Cp,gas | 122.86 | J/mol×K | 464.00 | Joback Calculated Property |
| Cp,gas | 128.34 | J/mol×K | 498.28 | Joback Calculated Property |
| Cp,gas | 133.54 | J/mol×K | 532.55 | Joback Calculated Property |
| Cp,gas | 138.46 | J/mol×K | 566.82 | Joback Calculated Property |
| Cp,liquid | [126.80; 136.20] | J/mol×K | [298.00; 298.15] |
|
| Cp,liquid | 126.80 | J/mol×K | 298.00 | NIST |
| Cp,liquid | 136.20 | J/mol×K | 298.15 | NIST |
| η | [0.0004174; 0.0055945] | Pa×s | [181.63; 361.18] |
|
| η | 0.0055945 | Pa×s | 181.63 | Joback Calculated Property |
| η | 0.0026731 | Pa×s | 211.56 | Joback Calculated Property |
| η | 0.0015337 | Pa×s | 241.48 | Joback Calculated Property |
| η | 0.0009947 | Pa×s | 271.40 | Joback Calculated Property |
| η | 0.0007031 | Pa×s | 301.33 | Joback Calculated Property |
| η | 0.0005291 | Pa×s | 331.25 | Joback Calculated Property |
| η | 0.0004174 | Pa×s | 361.18 | Joback Calculated Property |
| ΔvapH | [32.08; 37.80] | kJ/mol | [221.00; 375.70] |
|
| ΔvapH | 37.80 | kJ/mol | 221.00 | NIST |
| ΔvapH | 37.00 | kJ/mol | 306.00 | NIST |
| ΔvapH | 36.80 | kJ/mol | 336.50 | NIST |
| ΔvapH | 35.43 | kJ/mol | 375.60 | KDB |
| ΔvapH | 32.08 | kJ/mol | 375.70 | NIST |
| ρl | [1622.30; 1820.90] | kg/m3 | [253.15; 358.15] |
|
| ρl | 1820.90 | kg/m3 | 253.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
| ρl | 1802.50 | kg/m3 | 263.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
| ρl | 1784.50 | kg/m3 | 273.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
| ρl | 1765.90 | kg/m3 | 283.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
| ρl | 1747.80 | kg/m3 | 293.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
| ρl | 1688.30 | kg/m3 | 324.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
| ρl | 1652.20 | kg/m3 | 343.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
| ρl | 1622.30 | kg/m3 | 358.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 203.34] | kPa | [270.82; 401.20] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48622e+01 | |||
| Coefficient B | -3.60870e+03 | |||
| Coefficient C | -2.32210e+01 | |||
| Temperature range, min. | 270.82 | |||
| Temperature range, max. | 401.20 | |||
| Pvap | 1.33 | kPa | 270.82 | Calculated Property |
| Pvap | 2.98 | kPa | 285.31 | Calculated Property |
| Pvap | 6.14 | kPa | 299.79 | Calculated Property |
| Pvap | 11.75 | kPa | 314.28 | Calculated Property |
| Pvap | 21.15 | kPa | 328.77 | Calculated Property |
| Pvap | 36.10 | kPa | 343.25 | Calculated Property |
| Pvap | 58.82 | kPa | 357.74 | Calculated Property |
| Pvap | 92.04 | kPa | 372.23 | Calculated Property |
| Pvap | 138.99 | kPa | 386.71 | Calculated Property |
| Pvap | 203.34 | kPa | 401.20 | Calculated Property |
| Pvap | [3.21e-05; 5239.55] | kPa | [171.15; 593.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.29299e+01 | |||
| Coefficient B | -7.25894e+03 | |||
| Coefficient C | -1.18977e+01 | |||
| Coefficient D | 1.09325e-05 | |||
| Temperature range, min. | 171.15 | |||
| Temperature range, max. | 593.00 | |||
| Pvap | 3.21e-05 | kPa | 171.15 | Calculated Property |
| Pvap | 0.02 | kPa | 218.02 | Calculated Property |
| Pvap | 0.92 | kPa | 264.89 | Calculated Property |
| Pvap | 10.91 | kPa | 311.77 | Calculated Property |
| Pvap | 60.93 | kPa | 358.64 | Calculated Property |
| Pvap | 216.88 | kPa | 405.51 | Calculated Property |
| Pvap | 585.39 | kPa | 452.38 | Calculated Property |
| Pvap | 1330.64 | kPa | 499.26 | Calculated Property |
| Pvap | 2722.58 | kPa | 546.13 | Calculated Property |
| Pvap | 5239.55 | kPa | 593.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1-iodo-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Determination of Partitioning Coefficients of Numerous Organic Solutes between a Long-Chain Aliphatic Alcohol and the Gas Phase as a Function of Temperature
- Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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