- InChI
- InChI=1S/C13H18/c1-9-4-7-12-10(2)5-6-11(3)13(12)8-9/h5-6,9H,4,7-8H2,1-3H3
- InChI Key
- CMWCSSCXHBQEPX-UHFFFAOYSA-N
- Formula
- C13H18
- SMILES
- Cc1ccc(C)c2c1CCC(C)C2
- Molecular Weight1
- 174.28
- CAS
- 30316-17-7
- Other Names
-
- 1,2,3,4-Tetrahydro-2,5,8-trimethylnaphthalene
- 2,5,8-Trimethyl-1,2,3,4-tetrahydronaphthalene
- 2,5,8-Trimethyltetralin
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- Pvap : Vapor pressure (kPa).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -7552.50 ± 0.92 | kJ/mol | NIST |
| ΔfH°gas | -39.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -135.60 ± 1.20 | kJ/mol | NIST |
| ΔfusH° | 18.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.86 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.428 | Crippen Calculated Property | |
| McVol | 159.410 | ml/mol | McGowan Calculated Property |
| Pc | 2438.65 | kPa | Joback Calculated Property |
| Tboil | 535.10 | K | Relay (1.0) Calculated Property |
| Tc | 745.98 | K | Relay (1.0) Calculated Property |
| Tfus | 261.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.585 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| 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 |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [388.49; 577.49] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.33185e+01 | |||
| Coefficient B | -3.92519e+03 | |||
| Coefficient C | -8.72710e+01 | |||
| Temperature range, min. | 388.49 | |||
| Temperature range, max. | 577.49 | |||
| Pvap | 1.33 | kPa | 388.49 | Calculated Property |
| Pvap | 3.12 | kPa | 409.49 | Calculated Property |
| Pvap | 6.57 | kPa | 430.49 | Calculated Property |
| Pvap | 12.70 | kPa | 451.49 | Calculated Property |
| Pvap | 22.85 | kPa | 472.49 | Calculated Property |
| Pvap | 38.70 | kPa | 493.49 | Calculated Property |
| Pvap | 62.22 | kPa | 514.49 | Calculated Property |
| Pvap | 95.70 | kPa | 535.49 | Calculated Property |
| Pvap | 141.62 | kPa | 556.49 | Calculated Property |
| Pvap | 202.65 | kPa | 577.49 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1,2,3,4-tetrahydro-2,5,8-trimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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