- InChI
- InChI=1S/C13H18/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h5,8-9H,2-4,6-7,10H2,1H3
- InChI Key
- JYPMNMUJDLKKJO-UHFFFAOYSA-N
- Formula
- C13H18
- SMILES
- CCCc1cccc2c1CCCC2
- Molecular Weight1
- 174.29
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4579 | Relay (1.0) Calculated Property | |
| ΔfusH° | 17.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.518 | Crippen Calculated Property | |
| McVol | 159.410 | ml/mol | McGowan Calculated Property |
| Pc | 2558.51 | kPa | Joback Calculated Property |
| Inp | 1442.00 | NIST | |
| Tboil | 535.76 | K | Relay (1.0) Calculated Property |
| Tc | 753.60 | K | Relay (1.0) Calculated Property |
| Tfus | 243.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.597 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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 | [198.51; 540.26] | 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 | -7.55380e+01 | |||
| Coefficient B | 1.20872e+00 | |||
| Coefficient C | -8.09720e-04 | |||
| Coefficient D | 2.16800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 198.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 260.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 314.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 361.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 403.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 438.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 469.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 496.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 519.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 540.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022068; 0.0003014] | Pa×s | [306.39; 539.79] |
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 | -1.07203e+01 | |||
| Coefficient B | 1.41064e+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. | 306.39 | |||
| Temperature range, max. | 539.79 | |||
| η | 0.0022068 | Pa×s | 306.39 | Calculated Property |
| η | 0.0015407 | Pa×s | 332.32 | Calculated Property |
| η | 0.0011331 | Pa×s | 358.26 | Calculated Property |
| η | 0.0008687 | Pa×s | 384.19 | Calculated Property |
| η | 0.0006887 | Pa×s | 410.12 | Calculated Property |
| η | 0.0005613 | Pa×s | 436.06 | Calculated Property |
| η | 0.0004681 | Pa×s | 461.99 | Calculated Property |
| η | 0.0003980 | Pa×s | 487.92 | Calculated Property |
| η | 0.0003439 | Pa×s | 513.86 | Calculated Property |
| η | 0.0003014 | Pa×s | 539.79 | Calculated Property |
Similar Compounds
Find more compounds similar to Tetraline, 5-propyl.
Sources
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