- 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
- 170.26
- 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).
- 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).
- 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 | 0.4057 | 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 | 248.90 | NIST | |
| Tboil | 541.30 ± 0.40 | K | NIST |
| Tc | 778.30 | K | Relay (1.0) Calculated Property |
| Tfus | 278.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.563 | m3/kmol | Relay (1.0) Calculated Property |
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 | [0.0020244; 0.0002781] | Pa×s | [292.91; 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. | 292.91 | |||
| Temperature range, max. | 545.03 | |||
| η | 0.0020244 | Pa×s | 292.91 | Calculated Property |
| η | 0.0013919 | Pa×s | 320.92 | Calculated Property |
| η | 0.0010164 | Pa×s | 348.94 | Calculated Property |
| η | 0.0007777 | Pa×s | 376.95 | Calculated Property |
| η | 0.0006175 | Pa×s | 404.97 | Calculated Property |
| η | 0.0005051 | Pa×s | 432.98 | Calculated Property |
| η | 0.0004234 | Pa×s | 460.99 | Calculated Property |
| η | 0.0003622 | Pa×s | 489.01 | Calculated Property |
| η | 0.0003151 | Pa×s | 517.02 | Calculated Property |
| η | 0.0002781 | Pa×s | 545.03 | Calculated Property |
Similar Compounds
Find more compounds similar to isopropylnaphthalene.
Sources
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