- 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° | 52.09 | 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 | 640.56 | K | Relay (1.0) Calculated Property |
| Tfus | 180.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.631 | 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 | [409.02; 508.14] | J/mol×K | [470.29; 644.11] |
|
| Cp,gas | 409.02 | J/mol×K | 470.29 | Joback Calculated Property |
| Cp,gas | 427.54 | J/mol×K | 499.26 | Joback Calculated Property |
| Cp,gas | 445.22 | J/mol×K | 528.23 | Joback Calculated Property |
| Cp,gas | 462.09 | J/mol×K | 557.20 | Joback Calculated Property |
| Cp,gas | 478.18 | J/mol×K | 586.17 | Joback Calculated Property |
| Cp,gas | 493.52 | J/mol×K | 615.14 | Joback Calculated Property |
| Cp,gas | 508.14 | J/mol×K | 644.11 | Joback Calculated Property |
| η | [0.0002023; 0.0170934] | Pa×s | [212.42; 470.29] |
|
| η | 0.0170934 | Pa×s | 212.42 | Joback Calculated Property |
| η | 0.0043803 | Pa×s | 255.40 | Joback Calculated Property |
| η | 0.0016616 | Pa×s | 298.38 | Joback Calculated Property |
| η | 0.0008046 | Pa×s | 341.36 | Joback Calculated Property |
| η | 0.0004582 | Pa×s | 384.33 | Joback Calculated Property |
| η | 0.0002922 | Pa×s | 427.31 | Joback Calculated Property |
| η | 0.0002023 | Pa×s | 470.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-methyl, 3,5-diethyl, heptane.
Sources
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