- InChI
- InChI=1S/C14H20/c1-3-14(4-2)11-7-9-12-8-5-6-10-13(12)14/h5-6,8,10H,3-4,7,9,11H2,1-2H3
- InChI Key
- DBFQMDNLSBZPMF-UHFFFAOYSA-N
- Formula
- C14H20
- SMILES
- CCC1(CC)CCCc2ccccc21
- Molecular Weight1
- 188.31
- Other Names
-
- Naphthalene, 1,1-diethyl-1,2,3,4-tetrahydro
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -40.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.081 | Crippen Calculated Property | |
| McVol | 173.500 | ml/mol | McGowan Calculated Property |
| Inp | [1439.00; 1439.00] |
|
|
| Inp | 1439.00 | NIST | |
| Inp | 1439.00 | NIST | |
| Tboil | 536.17 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [428.92; 530.23] | J/mol×K | [562.63; 788.19] |
|
| Cp,gas | 428.92 | J/mol×K | 562.63 | Joback Calculated Property |
| Cp,gas | 448.54 | J/mol×K | 600.22 | Joback Calculated Property |
| Cp,gas | 466.85 | J/mol×K | 637.82 | Joback Calculated Property |
| Cp,gas | 484.00 | J/mol×K | 675.41 | Joback Calculated Property |
| Cp,gas | 500.17 | J/mol×K | 713.00 | Joback Calculated Property |
| Cp,gas | 515.53 | J/mol×K | 750.59 | Joback Calculated Property |
| Cp,gas | 530.23 | J/mol×K | 788.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-Diethyl-1,2,3,4-tetrahydronaphthalene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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