- InChI
- InChI=1S/C13H14/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-10H,1-2H3
- InChI Key
- PMPBFICDXLLSRM-UHFFFAOYSA-N
- Formula
- C13H14
- SMILES
- CC(C)c1cccc2ccccc12
- Molecular Weight1
- 170.25
- CAS
- 6158-45-8
- Other Names
-
- 1-Isopropylnaphthalene
- Naphthalene, 1-isopropyl-
- «alpha»-Isopropylnaphthalene
- «alpha»-Isopropylnaphthalene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 265.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 99.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.72 | kJ/mol | Joback Calculated Property |
| log10WS | -4.46 | Crippen Calculated Property | |
| logPoct/wat | 3.963 | Crippen Calculated Property | |
| McVol | 150.810 | ml/mol | McGowan Calculated Property |
| Pc | 2778.85 | kPa | Joback Calculated Property |
| Inp | [1419.00; 1465.90] |
|
|
| Inp | Outlier 1419.00 | NIST | |
| Inp | 1443.00 | NIST | |
| Inp | 1451.10 | NIST | |
| Inp | 1460.90 | NIST | |
| Inp | 1465.90 | NIST | |
| Inp | 1451.10 | NIST | |
| Inp | 1460.90 | NIST | |
| Inp | 1465.90 | NIST | |
| Tboil | 547.04 | K | Joback Calculated Property |
| Tc | 778.34 | K | Joback Calculated Property |
| Tfus | 257.49 ± 0.10 | K | NIST |
| Vc | 0.572 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [342.66; 425.45] | J/mol×K | [547.04; 778.34] |
|
| Cp,gas | 342.66 | J/mol×K | 547.04 | Joback Calculated Property |
| Cp,gas | 359.12 | J/mol×K | 585.59 | Joback Calculated Property |
| Cp,gas | 374.41 | J/mol×K | 624.14 | Joback Calculated Property |
| Cp,gas | 388.61 | J/mol×K | 662.69 | Joback Calculated Property |
| Cp,gas | 401.80 | J/mol×K | 701.24 | Joback Calculated Property |
| Cp,gas | 414.06 | J/mol×K | 739.79 | Joback Calculated Property |
| Cp,gas | 425.45 | J/mol×K | 778.34 | Joback Calculated Property |
| η | [0.0002758; 0.0020244] | Pa×s | [292.91; 547.04] |
|
| η | 0.0020244 | Pa×s | 292.91 | Joback Calculated Property |
| η | 0.0011772 | Pa×s | 335.26 | Joback Calculated Property |
| η | 0.0007731 | Pa×s | 377.62 | Joback Calculated Property |
| η | 0.0005526 | Pa×s | 419.98 | Joback Calculated Property |
| η | 0.0004201 | Pa×s | 462.33 | Joback Calculated Property |
| η | 0.0003344 | Pa×s | 504.68 | Joback Calculated Property |
| η | 0.0002758 | Pa×s | 547.04 | Joback Calculated Property |
| ΔvapH | 50.40 | kJ/mol | 471.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 405.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [404.22; 572.36] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45036e+01 | |||
| Coefficient B | -4.37353e+03 | |||
| Coefficient C | -9.65700e+01 | |||
| Temperature range, min. | 404.22 | |||
| Temperature range, max. | 572.36 | |||
| Pvap | 1.33 | kPa | 404.22 | Calculated Property |
| Pvap | 3.01 | kPa | 422.90 | Calculated Property |
| Pvap | 6.22 | kPa | 441.58 | Calculated Property |
| Pvap | 11.92 | kPa | 460.27 | Calculated Property |
| Pvap | 21.45 | kPa | 478.95 | Calculated Property |
| Pvap | 36.55 | kPa | 497.63 | Calculated Property |
| Pvap | 59.38 | kPa | 516.31 | Calculated Property |
| Pvap | 92.58 | kPa | 535.00 | Calculated Property |
| Pvap | 139.18 | kPa | 553.68 | Calculated Property |
| Pvap | 202.64 | kPa | 572.36 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1-(1-methylethyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.