- InChI
- InChI=1S/C14H24/c1-4-14-7-11-5-12(2,9-14)8-13(3,6-11)10-14/h11H,4-10H2,1-3H3
- InChI Key
- FTNPDAKMYKMVKB-UHFFFAOYSA-N
- Formula
- C14H24
- SMILES
- CCC12CC3CC(C)(CC(C)(C3)C1)C2
- Molecular Weight1
- 192.34
- CAS
- 1687-35-0
- Other Names
-
- 5-Ethyl-1,3-dimethyladamantane
- 1-Ethyl-3,5-dimethyladamantane
- 1-ethyl-3,5-methyladamantane
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- I : 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° | 212.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -94.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.91 | kJ/mol | Joback Calculated Property |
| log10WS | -4.40 | Crippen Calculated Property | |
| logPoct/wat | 4.393 | Crippen Calculated Property | |
| McVol | 175.540 | ml/mol | McGowan Calculated Property |
| Pc | 2391.19 | kPa | Joback Calculated Property |
| Inp | [1252.00; 1321.00] |
|
|
| Inp | 1313.00 | NIST | |
| Inp | 1279.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1276.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Inp | Outlier 1321.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1276.00 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1279.00 | NIST | |
| Inp | 1291.00 | NIST | |
| Inp | 1303.00 | NIST | |
| Inp | 1313.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1279.00 | NIST | |
| Inp | 1279.00 | NIST | |
| I | [1406.00; 1441.00] |
|
|
| I | 1406.00 | NIST | |
| I | 1421.00 | NIST | |
| I | 1441.00 | NIST | |
| Tboil | 540.26 | K | Joback Calculated Property |
| Tc | 767.88 | K | Joback Calculated Property |
| Tfus | 365.30 | K | Joback Calculated Property |
| Vc | 0.675 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [467.57; 583.92] | J/mol×K | [540.26; 767.88] |
|
| Cp,gas | 467.57 | J/mol×K | 540.26 | Joback Calculated Property |
| Cp,gas | 490.29 | J/mol×K | 578.20 | Joback Calculated Property |
| Cp,gas | 511.11 | J/mol×K | 616.13 | Joback Calculated Property |
| Cp,gas | 530.47 | J/mol×K | 654.07 | Joback Calculated Property |
| Cp,gas | 548.77 | J/mol×K | 692.01 | Joback Calculated Property |
| Cp,gas | 566.45 | J/mol×K | 729.94 | Joback Calculated Property |
| Cp,gas | 583.92 | J/mol×K | 767.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dimethyl-5-ethyladamantane.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.