- InChI
- InChI=1S/C15H18/c1-10(2)13-8-14-11(3)6-5-7-12(4)15(14)9-13/h5-10H,1-4H3
- InChI Key
- APVKGMMYGFJZHY-UHFFFAOYSA-N
- Formula
- C15H18
- SMILES
- Cc1cccc(C)c2cc(C(C)C)cc1-2
- Molecular Weight1
- 198.31
- 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 | 0.4937 | Relay (1.0) Calculated Property | |
| ΔfG° | 263.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 19.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.532 | Crippen Calculated Property | |
| McVol | 178.990 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| Inp | [1787.00; 1787.00] |
|
|
| Inp | 1787.00 | NIST | |
| Inp | 1787.00 | NIST | |
| Tboil | 566.88 | K | Relay (1.0) Calculated Property |
| Tc | 795.55 | K | Relay (1.0) Calculated Property |
| Tfus | 315.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.669 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.77; 575.30] | 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 | -3.48800e+01 | |||
| Coefficient B | 1.17368e+00 | |||
| Coefficient C | -7.62200e-04 | |||
| Coefficient D | 1.98700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 232.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 293.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 347.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 394.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 436.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 471.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 503.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 530.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 554.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 575.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013500; 0.0002656] | Pa×s | [340.49; 579.39] |
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 | -1.05512e+01 | |||
| Coefficient B | 1.34274e+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. | 340.49 | |||
| Temperature range, max. | 579.39 | |||
| η | 0.0013500 | Pa×s | 340.49 | Calculated Property |
| η | 0.0010150 | Pa×s | 367.03 | Calculated Property |
| η | 0.0007931 | Pa×s | 393.58 | Calculated Property |
| η | 0.0006393 | Pa×s | 420.12 | Calculated Property |
| η | 0.0005287 | Pa×s | 446.67 | Calculated Property |
| η | 0.0004467 | Pa×s | 473.21 | Calculated Property |
| η | 0.0003842 | Pa×s | 499.76 | Calculated Property |
| η | 0.0003355 | Pa×s | 526.30 | Calculated Property |
| η | 0.0002968 | Pa×s | 552.84 | Calculated Property |
| η | 0.0002656 | Pa×s | 579.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Vetivazulene.
Sources
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