- InChI
- InChI=1S/C3H7I/c1-3(2)4/h3H,1-2H3
- InChI Key
- FMKOJHQHASLBPH-UHFFFAOYSA-N
- Formula
- C3H7I
- SMILES
- CC(C)I
- Molecular Weight1
- 169.99
- CAS
- 75-30-9
- Other Names
-
- 2-Iodopropane
- 2-Jodpropan
- Isopropyl iodide
- Isopropyl iodine
- Propane, iodo-
- i-Propyl iodide
- iso-C3H7I
- sec-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).
- Inp : Non-polar retention indices.
- γ : Surface Tension (N/m).
- 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 | 0.1950 | KDB | |
| ΔfG° | 30.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -28.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -74.90 ± 2.30 | kJ/mol | NIST |
| ΔfusH° | 4.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [34.00; 34.14] | kJ/mol |
|
| ΔvapH° | 34.14 | kJ/mol | NIST |
| ΔvapH° | 34.00 | kJ/mol | NIST |
| ΔvapH° | 34.10 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 34.06 ± 0.06 | kJ/mol | NIST |
| IE | [9.15; 9.40] | eV |
|
| IE | 9.19 ± 0.02 | eV | NIST |
| IE | 9.15 | eV | NIST |
| IE | 9.19 ± 0.02 | eV | NIST |
| IE | 9.18 | eV | NIST |
| IE | 9.18 | eV | NIST |
| IE | 9.18 | eV | NIST |
| IE | 9.20 ± 0.10 | eV | NIST |
| IE | 9.18 | eV | NIST |
| IE | 9.18 | eV | NIST |
| IE | 9.18 ± 0.01 | eV | NIST |
| IE | 9.19 | eV | NIST |
| IE | 9.19 | eV | NIST |
| IE | 9.19 | eV | NIST |
| IE | 9.17 ± 0.02 | eV | NIST |
| IE | Outlier 9.40 | eV | NIST |
| log10WS | [-2.09; -2.09] |
|
|
| log10WS | -2.09 | Aq. Solubility Prediction | |
| log10WS | -2.09 | Estimated Solubility | |
| logPoct/wat | 1.830 | Crippen Calculated Property | |
| McVol | 78.950 | ml/mol | McGowan Calculated Property |
| Pc | 4330.00 | kPa | KDB |
| Inp | [654.00; 670.00] |
|
|
| Inp | 661.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 670.00 | NIST | |
| Tboil | [362.00; 362.65] | K |
|
| Tboil | 362.60 | K | KDB |
| Tboil | 362.60 | K | NIST |
| Tboil | 362.60 | K | NIST |
| Tboil | 362.00 ± 1.00 | K | NIST |
| Tboil | 362.20 ± 1.50 | K | NIST |
| Tboil | 362.10 ± 2.00 | K | NIST |
| Tboil | 362.50 ± 0.50 | K | NIST |
| Tboil | 362.65 ± 0.10 | K | NIST |
| Tc | 574.60 | K | KDB |
| Tfus | [180.10; 183.15] | K |
|
| Tfus | 183.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 183.00 | K | KDB |
| Tfus | 183.15 ± 0.40 | K | NIST |
| Tfus | 180.10 ± 2.00 | K | NIST |
| Tfus | 182.40 ± 0.30 | K | NIST |
| Vc | 0.285 | m3/kmol | KDB |
| Zc | 0.2587570 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 137.30 | J/mol×K | 298.15 | NIST |
| ΔvapH | [30.68; 36.70] | kJ/mol | [217.50; 362.60] |
|
| ΔvapH | 36.70 | kJ/mol | 217.50 | NIST |
| ΔvapH | 36.30 | kJ/mol | 296.50 | NIST |
| ΔvapH | 34.49 | kJ/mol | 362.60 | KDB |
| ΔvapH | 30.68 | kJ/mol | 362.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [85.89; 183.81] | 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 | 1.01700e+01 | |||
| Coefficient B | 3.33740e-01 | |||
| Coefficient C | -2.24000e-04 | |||
| Coefficient D | 6.39000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 85.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 103.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 118.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 131.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 143.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 153.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 162.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 170.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 177.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 183.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0058960; 0.0003068] | Pa×s | [182.36; 402.22] |
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 | -1.05412e+01 | |||
| Coefficient B | 9.86160e+02 | |||
| 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. | 182.36 | |||
| Temperature range, max. | 402.22 | |||
| η | 0.0058960 | Pa×s | 182.36 | Calculated Property |
| η | 0.0031125 | Pa×s | 206.79 | Calculated Property |
| η | 0.0018806 | Pa×s | 231.22 | Calculated Property |
| η | 0.0012511 | Pa×s | 255.65 | Calculated Property |
| η | 0.0008937 | Pa×s | 280.08 | Calculated Property |
| η | 0.0006737 | Pa×s | 304.50 | Calculated Property |
| η | 0.0005297 | Pa×s | 328.93 | Calculated Property |
| η | 0.0004305 | Pa×s | 353.36 | Calculated Property |
| η | 0.0003595 | Pa×s | 377.79 | Calculated Property |
| η | 0.0003068 | Pa×s | 402.22 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 204.42] | kPa | [262.22; 387.44] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46020e+01 | |||
| Coefficient B | -3.30599e+03 | |||
| Coefficient C | -3.12600e+01 | |||
| Temperature range, min. | 262.22 | |||
| Temperature range, max. | 387.44 | |||
| Pvap | 1.33 | kPa | 262.22 | Calculated Property |
| Pvap | 3.01 | kPa | 276.13 | Calculated Property |
| Pvap | 6.22 | kPa | 290.05 | Calculated Property |
| Pvap | 11.93 | kPa | 303.96 | Calculated Property |
| Pvap | 21.48 | kPa | 317.87 | Calculated Property |
| Pvap | 36.65 | kPa | 331.79 | Calculated Property |
| Pvap | 59.63 | kPa | 345.70 | Calculated Property |
| Pvap | 93.09 | kPa | 359.61 | Calculated Property |
| Pvap | 140.17 | kPa | 373.53 | Calculated Property |
| Pvap | 204.42 | kPa | 387.44 | Calculated Property |
| Pvap | [8.97e-05; 5628.55] | kPa | [173.15; 578.00] |
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 | 1.20861e+02 | |||
| Coefficient B | -8.05092e+03 | |||
| Coefficient C | -1.63330e+01 | |||
| Coefficient D | 1.66867e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 173.15 | |||
| Temperature range, max. | 578.00 | |||
| Pvap | 8.97e-05 | kPa | 173.15 | Calculated Property |
| Pvap | 0.04 | kPa | 218.13 | Calculated Property |
| Pvap | 1.49 | kPa | 263.12 | Calculated Property |
| Pvap | 15.16 | kPa | 308.10 | Calculated Property |
| Pvap | 75.06 | kPa | 353.08 | Calculated Property |
| Pvap | 244.77 | kPa | 398.07 | Calculated Property |
| Pvap | 624.20 | kPa | 443.05 | Calculated Property |
| Pvap | 1381.43 | kPa | 488.03 | Calculated Property |
| Pvap | 2834.02 | kPa | 533.02 | Calculated Property |
| Pvap | 5628.55 | kPa | 578.00 | Calculated Property |
| Pvap | [0.13; 100.77] | kPa | [229.90; 362.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41416e+01 | |||
| Coefficient B | -3.08650e+03 | |||
| Coefficient C | -3.87850e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 229.90 | |||
| Temperature range, max. | 362.70 | |||
| Pvap | 0.13 | kPa | 229.90 | Calculated Property |
| Pvap | 0.43 | kPa | 244.66 | Calculated Property |
| Pvap | 1.16 | kPa | 259.41 | Calculated Property |
| Pvap | 2.80 | kPa | 274.17 | Calculated Property |
| Pvap | 6.06 | kPa | 288.92 | Calculated Property |
| Pvap | 12.06 | kPa | 303.68 | Calculated Property |
| Pvap | 22.30 | kPa | 318.43 | Calculated Property |
| Pvap | 38.77 | kPa | 333.19 | Calculated Property |
| Pvap | 63.95 | kPa | 347.94 | Calculated Property |
| Pvap | 100.77 | kPa | 362.70 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 0.02] | N/m | [183.15; 362.65] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 5.95877e-02 | |||
| Coefficient B | -1.10700e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 183.15 | |||
| Temperature range, max. | 362.65 | |||
| γ | 0.04 | N/m | 183.15 | Calculated Property |
| γ | 0.04 | N/m | 203.09 | Calculated Property |
| γ | 0.03 | N/m | 223.04 | Calculated Property |
| γ | 0.03 | N/m | 242.98 | Calculated Property |
| γ | 0.03 | N/m | 262.93 | Calculated Property |
| γ | 0.03 | N/m | 282.87 | Calculated Property |
| γ | 0.03 | N/m | 302.82 | Calculated Property |
| γ | 0.02 | N/m | 322.76 | Calculated Property |
| γ | 0.02 | N/m | 342.71 | Calculated Property |
| γ | 0.02 | N/m | 362.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 2-iodo-.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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