- InChI
- InChI=1S/C13H18/c1-9-7-11(3)12-6-4-5-10(2)13(12)8-9/h7-8,10H,4-6H2,1-3H3
- InChI Key
- VJFBUCVRMBYHAH-UHFFFAOYSA-N
- Formula
- C13H18
- SMILES
- Cc1cc(C)c2c(c1)C(C)CCC2
- Molecular Weight1
- 174.29
- Other Names
-
- 1,5,7-Trimethyl-1,2,3,4-tetrahydronaphthalene
- 1,2,3,4-Tetrahydro-1,5,7-trimethylnaphthalene
- Naphthaline, 1,2,3,4-tetrahydro, 1,5,7-trimethyl
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -60.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.26 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.743 | Crippen Calculated Property | |
| McVol | 159.410 | ml/mol | McGowan Calculated Property |
| Inp | [1250.00; 1250.00] |
|
|
| Inp | 1250.00 | NIST | |
| Inp | 1250.00 | NIST | |
| I | [1462.00; 1462.00] |
|
|
| I | 1462.00 | NIST | |
| I | 1462.00 | NIST | |
| Tboil | 531.98 | 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, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.32; 543.88] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.53000e+01 | |||
| Coefficient B | 1.12276e+00 | |||
| Coefficient C | -6.87280e-04 | |||
| Coefficient D | 1.63700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 203.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 263.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 316.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 363.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 404.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 440.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 472.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 499.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 523.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 543.88 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014096; 0.0003219] | Pa×s | [314.67; 540.73] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.00973e+01 | |||
| Coefficient B | 1.11169e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 314.67 | |||
| Temperature range, max. | 540.73 | |||
| η | 0.0014096 | Pa×s | 314.67 | Calculated Property |
| η | 0.0010856 | Pa×s | 339.79 | Calculated Property |
| η | 0.0008667 | Pa×s | 364.91 | Calculated Property |
| η | 0.0007123 | Pa×s | 390.02 | Calculated Property |
| η | 0.0005995 | Pa×s | 415.14 | Calculated Property |
| η | 0.0005145 | Pa×s | 440.26 | Calculated Property |
| η | 0.0004490 | Pa×s | 465.38 | Calculated Property |
| η | 0.0003973 | Pa×s | 490.50 | Calculated Property |
| η | 0.0003558 | Pa×s | 515.61 | Calculated Property |
| η | 0.0003219 | Pa×s | 540.73 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1,2,3,4-tetrahydro-1,5,7-trimethyl-.
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
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