- InChI
- InChI=1S/C7H15I/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3
- InChI Key
- OQRWLPBTVGINDN-UHFFFAOYSA-N
- Formula
- C7H15I
- SMILES
- CCCC(I)CCC
- Molecular Weight1
- 226.10
- CAS
- 31294-93-6
- Other Names
-
- 4-Iodoheptane
- 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).
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3501 | Relay (1.0) Calculated Property | |
| ΔfG° | 63.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -73.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.390 | Crippen Calculated Property | |
| McVol | 135.310 | ml/mol | McGowan Calculated Property |
| Pc | 2758.46 | kPa | Joback Calculated Property |
| Inp | [1061.00; 1121.00] |
|
|
| Inp | 1121.00 | NIST | |
| Inp | 1061.00 | NIST | |
| I | 1265.00 | NIST | |
| Tboil | 453.04 | K | Relay (1.0) Calculated Property |
| Tc | 656.59 | K | Relay (1.0) Calculated Property |
| Tfus | 196.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.485 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.32; 315.92] | J/mol×K | [452.26; 655.04] |
|
| Cp,gas | 249.32 | J/mol×K | 452.26 | Joback Calculated Property |
| Cp,gas | 261.93 | J/mol×K | 486.06 | Joback Calculated Property |
| Cp,gas | 273.90 | J/mol×K | 519.85 | Joback Calculated Property |
| Cp,gas | 285.26 | J/mol×K | 553.65 | Joback Calculated Property |
| Cp,gas | 296.03 | J/mol×K | 587.45 | Joback Calculated Property |
| Cp,gas | 306.24 | J/mol×K | 621.25 | Joback Calculated Property |
| Cp,gas | 315.92 | J/mol×K | 655.04 | Joback Calculated Property |
| η | [0.0003227; 0.0099031] | Pa×s | [211.71; 452.26] |
|
| η | 0.0099031 | Pa×s | 211.71 | Joback Calculated Property |
| η | 0.0035535 | Pa×s | 251.80 | Joback Calculated Property |
| η | 0.0016897 | Pa×s | 291.89 | Joback Calculated Property |
| η | 0.0009615 | Pa×s | 331.99 | Joback Calculated Property |
| η | 0.0006178 | Pa×s | 372.08 | Joback Calculated Property |
| η | 0.0004326 | Pa×s | 412.17 | Joback Calculated Property |
| η | 0.0003227 | Pa×s | 452.26 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 339.20 | K | 1.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [348.68; 495.98] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47819e+01 | |||
| Coefficient B | -4.02472e+03 | |||
| Coefficient C | -7.10040e+01 | |||
| Temperature range, min. | 348.68 | |||
| Temperature range, max. | 495.98 | |||
| Pvap | 1.33 | kPa | 348.68 | Calculated Property |
| Pvap | 2.99 | kPa | 365.05 | Calculated Property |
| Pvap | 6.15 | kPa | 381.41 | Calculated Property |
| Pvap | 11.77 | kPa | 397.78 | Calculated Property |
| Pvap | 21.18 | kPa | 414.15 | Calculated Property |
| Pvap | 36.12 | kPa | 430.51 | Calculated Property |
| Pvap | 58.81 | kPa | 446.88 | Calculated Property |
| Pvap | 91.94 | kPa | 463.25 | Calculated Property |
| Pvap | 138.67 | kPa | 479.61 | Calculated Property |
| Pvap | 202.64 | kPa | 495.98 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 4-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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