- InChI
- InChI=1S/C12H26/c1-6-11(7-2)10-12(5,8-3)9-4/h11H,6-10H2,1-5H3
- InChI Key
- RGRSPNWZJFXFAN-UHFFFAOYSA-N
- Formula
- C12H26
- SMILES
- CCC(CC)CC(C)(CC)CC
- Molecular Weight1
- 170.33
- 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).
- 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 | 0.4355 | Relay (1.0) Calculated Property | |
| ΔfG° | 50.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.85 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.639 | Crippen Calculated Property | |
| McVol | 179.940 | ml/mol | McGowan Calculated Property |
| Pc | 1821.61 | kPa | Joback Calculated Property |
| Inp | [1112.40; 1112.40] |
|
|
| Inp | 1112.40 | NIST | |
| Inp | 1112.40 | NIST | |
| Tboil | 466.78 | K | Relay (1.0) Calculated Property |
| Tc | 645.92 | K | Relay (1.0) Calculated Property |
| Tfus | 178.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.635 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.27; 640.43] | 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 | -3.41750e+01 | |||
| Coefficient B | 1.27560e+00 | |||
| Coefficient C | -8.04000e-04 | |||
| Coefficient D | 2.03000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 258.27 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 325.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 384.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 437.45 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 483.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 523.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 559.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 589.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 616.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 640.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0170934; 0.0002364] | Pa×s | [212.42; 451.07] |
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 | -1.21602e+01 | |||
| Coefficient B | 1.71872e+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. | 212.42 | |||
| Temperature range, max. | 451.07 | |||
| η | 0.0170934 | Pa×s | 212.42 | Calculated Property |
| η | 0.0069640 | Pa×s | 238.94 | Calculated Property |
| η | 0.0033947 | Pa×s | 265.45 | Calculated Property |
| η | 0.0018855 | Pa×s | 291.97 | Calculated Property |
| η | 0.0011550 | Pa×s | 318.49 | Calculated Property |
| η | 0.0007628 | Pa×s | 345.00 | Calculated Property |
| η | 0.0005346 | Pa×s | 371.52 | Calculated Property |
| η | 0.0003928 | Pa×s | 398.04 | Calculated Property |
| η | 0.0002999 | Pa×s | 424.55 | Calculated Property |
| η | 0.0002364 | Pa×s | 451.07 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-methyl, 3,5-diethyl, heptane.
Sources
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