- InChI
- InChI=1S/C13H12/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-9H,1H2,2H3
- InChI Key
- LCJNYCWJKAWZKZ-UHFFFAOYSA-N
- Formula
- C13H12
- SMILES
- C=C(C)c1cccc2ccccc12
- Molecular Weight1
- 168.23
- CAS
- 1855-47-6
- Other Names
-
- Naphthalene, 1-methylethenyl
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.4345 | Relay (1.0) Calculated Property | |
| ΔfG° | 347.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 207.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.873 | Crippen Calculated Property | |
| McVol | 146.510 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Inp | [257.00; 1500.00] |
|
|
| Inp | 1500.00 | NIST | |
| Inp | 257.00 | NIST | |
| Tboil | 547.53 | K | Relay (1.0) Calculated Property |
| Tc | 795.22 | K | Relay (1.0) Calculated Property |
| Tfus | 276.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.546 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.90; 448.88] | 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 | -6.26600e+01 | |||
| Coefficient B | 1.07662e+00 | |||
| Coefficient C | -8.09480e-04 | |||
| Coefficient D | 2.44400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 175.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 227.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 272.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 310.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 343.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 371.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 394.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 415.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 432.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 448.88 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Isopropenylnaphthalene.
Sources
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