- InChI
- InChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1
- InChI Key
- MAKRYGRRIKSDES-IUCAKERBSA-N
- Formula
- C9H20
- SMILES
- CCCC(C)C(C)CC
- Molecular Weight1
- 128.26
- 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).
- Inp : Non-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 | 0.3624 | Relay (1.0) Calculated Property | |
| ΔfG° | 20.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.469 | Crippen Calculated Property | |
| McVol | 137.670 | ml/mol | McGowan Calculated Property |
| Pc | 2342.82 | kPa | Joback Calculated Property |
| Inp | [848.30; 855.00] |
|
|
| Inp | 848.30 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 848.30 | NIST | |
| Tboil | 411.71 | K | Relay (1.0) Calculated Property |
| Tc | 593.01 | K | Relay (1.0) Calculated Property |
| Tfus | 171.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.504 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.78; 484.72] | 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 | -8.65700e+00 | |||
| Coefficient B | 8.70680e-01 | |||
| Coefficient C | -4.72200e-04 | |||
| Coefficient D | 9.49000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 195.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 244.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 288.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 327.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 362.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 393.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 421.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 445.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 466.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 484.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0224972; 0.0002287] | Pa×s | [161.19; 402.62] |
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 | -1.14469e+01 | |||
| Coefficient B | 1.23352e+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. | 161.19 | |||
| Temperature range, max. | 402.62 | |||
| η | 0.0224972 | Pa×s | 161.19 | Calculated Property |
| η | 0.0075499 | Pa×s | 188.02 | Calculated Property |
| η | 0.0033279 | Pa×s | 214.84 | Calculated Property |
| η | 0.0017595 | Pa×s | 241.67 | Calculated Property |
| η | 0.0010566 | Pa×s | 268.49 | Calculated Property |
| η | 0.0006961 | Pa×s | 295.32 | Calculated Property |
| η | 0.0004916 | Pa×s | 322.15 | Calculated Property |
| η | 0.0003662 | Pa×s | 348.97 | Calculated Property |
| η | 0.0002846 | Pa×s | 375.80 | Calculated Property |
| η | 0.0002287 | Pa×s | 402.62 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dimethylheptane, (D).
Sources
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