- InChI
- InChI=1S/C12H26/c1-6-12(11(4)5)9-7-8-10(2)3/h10-12H,6-9H2,1-5H3
- InChI Key
- XEMFRSYZKNPRTA-UHFFFAOYSA-N
- Formula
- C12H26
- SMILES
- CCC(CCCC(C)C)C(C)C
- Molecular Weight1
- 170.33
- CAS
- 62183-55-5
- Other Names
-
- 3-Ethyl-2,7-dimethyl octane
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 42.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -306.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.14 | kJ/mol | Joback Calculated Property |
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 4.495 | Crippen Calculated Property | |
| McVol | 179.940 | ml/mol | McGowan Calculated Property |
| Pc | 1816.95 | kPa | Joback Calculated Property |
| Inp | 1180.00 | NIST | |
| Tboil | 472.64 | K | Joback Calculated Property |
| Tc | 643.64 | K | Joback Calculated Property |
| Tfus | 180.00 | K | Joback Calculated Property |
| Vc | 0.690 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.03; 504.72] | J/mol×K | [472.64; 643.64] | 
|
| Cp,gas | 407.03 | J/mol×K | 472.64 | Joback Calculated Property |
| Cp,gas | 425.05 | J/mol×K | 501.14 | Joback Calculated Property |
| Cp,gas | 442.35 | J/mol×K | 529.64 | Joback Calculated Property |
| Cp,gas | 458.95 | J/mol×K | 558.14 | Joback Calculated Property |
| Cp,gas | 474.87 | J/mol×K | 586.64 | Joback Calculated Property |
| Cp,gas | 490.12 | J/mol×K | 615.14 | Joback Calculated Property |
| Cp,gas | 504.72 | J/mol×K | 643.64 | Joback Calculated Property |
| η | [0.0001829; 0.0383167] | Pa×s | [180.00; 472.64] |
|
| η | 0.0383167 | Pa×s | 180.00 | Joback Calculated Property |
| η | 0.0060831 | Pa×s | 228.77 | Joback Calculated Property |
| η | 0.0018440 | Pa×s | 277.55 | Joback Calculated Property |
| η | 0.0007987 | Pa×s | 326.32 | Joback Calculated Property |
| η | 0.0004300 | Pa×s | 375.09 | Joback Calculated Property |
| η | 0.0002670 | Pa×s | 423.87 | Joback Calculated Property |
| η | 0.0001829 | Pa×s | 472.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 3-ethyl-2,7-dimethyl-.
Sources
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