- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4057 | Relay (1.0) Calculated Property | |
| ΔfG° | 265.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 66.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.86 | Relay (1.0) 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 | [533.70; 541.20] | K |
|
| Tboil | 541.20 | K | NIST |
| Tboil | 540.60 ± 4.00 | K | NIST |
| Tboil | 540.94 ± 0.30 | K | NIST |
| Tboil | 541.10 ± 2.00 | K | NIST |
| Tboil | Outlier 533.70 ± 3.00 | K | NIST |
| Tboil | 538.00 ± 5.00 | K | NIST |
| Tc | 778.30 | K | Relay (1.0) Calculated Property |
| Tfus | [257.15; 257.49] | K |
|
| Tfus | 257.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 257.49 ± 0.10 | K | NIST |
| Vc | 0.563 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Cp,gas | [185.24; 478.20] | 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 | -6.16600e+01 | |||
| Coefficient B | 1.10264e+00 | |||
| Coefficient C | -7.87480e-04 | |||
| Coefficient D | 2.24700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 185.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 239.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 287.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 328.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 363.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 393.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 419.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 441.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 461.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 478.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036649; 0.0002781] | Pa×s | [257.32; 545.03] |
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 | -1.04937e+01 | |||
| Coefficient B | 1.25694e+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. | 257.32 | |||
| Temperature range, max. | 545.03 | |||
| η | 0.0036649 | Pa×s | 257.32 | Calculated Property |
| η | 0.0021361 | Pa×s | 289.29 | Calculated Property |
| η | 0.0013863 | Pa×s | 321.26 | Calculated Property |
| η | 0.0009729 | Pa×s | 353.22 | Calculated Property |
| η | 0.0007241 | Pa×s | 385.19 | Calculated Property |
| η | 0.0005639 | Pa×s | 417.16 | Calculated Property |
| η | 0.0004551 | Pa×s | 449.13 | Calculated Property |
| η | 0.0003778 | Pa×s | 481.10 | Calculated Property |
| η | 0.0003211 | Pa×s | 513.07 | Calculated Property |
| η | 0.0002781 | Pa×s | 545.03 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [404.22; 572.36] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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