- InChI
- InChI=1S/C14H30/c1-11(12(2,3)4)10-14(8,9)13(5,6)7/h11H,10H2,1-9H3
- InChI Key
- OTNCYIBPUVFLLZ-UHFFFAOYSA-N
- Formula
- C14H30
- SMILES
- CC(CC(C)(C)C(C)(C)C)C(C)(C)C
- Molecular Weight1
- 198.39
- CAS
- 7225-67-4
- Other Names
-
- 2,2,3,3,5,6,6-Heptamethylheptane
- 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).
- 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 | 0.3929 | Relay (1.0) Calculated Property | |
| ΔfG° | 73.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.71 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.131 | Crippen Calculated Property | |
| McVol | 208.120 | ml/mol | McGowan Calculated Property |
| Pc | 1603.85 | kPa | Joback Calculated Property |
| Tboil | 485.95 | K | Relay (1.0) Calculated Property |
| Tc | 683.35 | K | Relay (1.0) Calculated Property |
| Tfus | 302.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.745 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [513.09; 629.40] | J/mol×K | [509.79; 701.53] | 
|
| Cp,gas | 513.09 | J/mol×K | 509.79 | Joback Calculated Property |
| Cp,gas | 535.58 | J/mol×K | 541.75 | Joback Calculated Property |
| Cp,gas | 556.72 | J/mol×K | 573.70 | Joback Calculated Property |
| Cp,gas | 576.61 | J/mol×K | 605.66 | Joback Calculated Property |
| Cp,gas | 595.30 | J/mol×K | 637.61 | Joback Calculated Property |
| Cp,gas | 612.87 | J/mol×K | 669.57 | Joback Calculated Property |
| Cp,gas | 629.40 | J/mol×K | 701.53 | Joback Calculated Property |
| η | [0.0001524; 0.0297494] | Pa×s | [239.80; 509.79] |
|
| η | 0.0297494 | Pa×s | 239.80 | Joback Calculated Property |
| η | 0.0061676 | Pa×s | 284.80 | Joback Calculated Property |
| η | 0.0019644 | Pa×s | 329.80 | Joback Calculated Property |
| η | 0.0008235 | Pa×s | 374.79 | Joback Calculated Property |
| η | 0.0004159 | Pa×s | 419.79 | Joback Calculated Property |
| η | 0.0002398 | Pa×s | 464.79 | Joback Calculated Property |
| η | 0.0001524 | Pa×s | 509.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 2,2,3,3,5,6,6-heptamethyl-.
Sources
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