- InChI
- InChI=1S/C7H15I/c1-4-7(2,3)5-6-8/h4-6H2,1-3H3
- InChI Key
- FYTNBCANGRHTEA-UHFFFAOYSA-N
- Formula
- C7H15I
- SMILES
- CCC(C)(C)CCI
- Molecular Weight1
- 226.10
- 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).
- 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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- 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 | 0.2992 | Relay (1.0) Calculated Property | |
| ΔfG° | 69.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -133.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.11 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -4.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.248 | Crippen Calculated Property | |
| McVol | 135.310 | ml/mol | McGowan Calculated Property |
| Pc | 2790.61 | kPa | Joback Calculated Property |
| Inp | 1054.00 | NIST | |
| Ip | 1146.00 | NIST | |
| Tboil | 455.30 | K | Relay (1.0) Calculated Property |
| Tc | 674.64 | K | Relay (1.0) Calculated Property |
| Tfus | 185.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.461 | m3/kmol | Relay (1.0) Calculated Property |
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Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.60; 391.10] | 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 | -1.62570e+01 | |||
| Coefficient B | 8.33660e-01 | |||
| Coefficient C | -6.10200e-04 | |||
| Coefficient D | 1.83900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 169.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 210.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 245.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 276.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 302.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 325.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 345.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 362.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 377.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 391.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0098571; 0.0003126] | Pa×s | [229.13; 462.96] |
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 | -1.14520e+01 | |||
| Coefficient B | 1.56552e+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. | 229.13 | |||
| Temperature range, max. | 462.96 | |||
| η | 0.0098571 | Pa×s | 229.13 | Calculated Property |
| η | 0.0049153 | Pa×s | 255.11 | Calculated Property |
| η | 0.0027875 | Pa×s | 281.09 | Calculated Property |
| η | 0.0017401 | Pa×s | 307.07 | Calculated Property |
| η | 0.0011691 | Pa×s | 333.05 | Calculated Property |
| η | 0.0008320 | Pa×s | 359.04 | Calculated Property |
| η | 0.0006199 | Pa×s | 385.02 | Calculated Property |
| η | 0.0004794 | Pa×s | 411.00 | Calculated Property |
| η | 0.0003823 | Pa×s | 436.98 | Calculated Property |
| η | 0.0003126 | Pa×s | 462.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 1-iodo-3,3-dimethyl.
Sources
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