- InChI
- InChI=1S/C17H22/c1-11-3-2-4-14(5-11)17-15-7-12-6-13(9-15)10-16(17)8-12/h2-5,12-13,15-17H,6-10H2,1H3/t12-,13?,15+,16?,17?/m0/s1
- InChI Key
- DAQHMRKBAUZVPJ-ABKHHGKASA-N
- Formula
- C17H22
- SMILES
- Cc1cccc(C2C3CC4CC(C3)CC2C4)c1
- Molecular Weight1
- 226.36
- 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 | 0.4173 | Relay (1.0) Calculated Property | |
| ΔfG° | 349.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -49.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.535 | Crippen Calculated Property | |
| McVol | 194.050 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Inp | 1875.00 | NIST | |
| Tboil | 607.14 | K | Relay (1.0) Calculated Property |
| Tc | 860.22 | K | Relay (1.0) Calculated Property |
| Tfus | 434.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.728 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.72; 729.12] | 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 | -1.76140e+02 | |||
| Coefficient B | 1.87052e+00 | |||
| Coefficient C | -1.36856e-03 | |||
| Coefficient D | 4.03300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 240.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 332.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 411.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 479.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 538.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 588.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 630.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 667.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 700.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 729.12 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023775; 0.0022133] | Pa×s | [362.11; 609.94] |
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 | -6.21786e+00 | |||
| Coefficient B | 6.37900e+01 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 362.11 | |||
| Temperature range, max. | 609.94 | |||
| η | 0.0023775 | Pa×s | 362.11 | Calculated Property |
| η | 0.0023481 | Pa×s | 389.65 | Calculated Property |
| η | 0.0023229 | Pa×s | 417.18 | Calculated Property |
| η | 0.0023010 | Pa×s | 444.72 | Calculated Property |
| η | 0.0022818 | Pa×s | 472.25 | Calculated Property |
| η | 0.0022649 | Pa×s | 499.79 | Calculated Property |
| η | 0.0022499 | Pa×s | 527.33 | Calculated Property |
| η | 0.0022364 | Pa×s | 554.86 | Calculated Property |
| η | 0.0022243 | Pa×s | 582.40 | Calculated Property |
| η | 0.0022133 | Pa×s | 609.94 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-(3-methylphenyl)-adamantane.
Sources
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