- InChI
- InChI=1S/C18H30/c1-3-5-7-10-14-17(13-9-6-4-2)18-15-11-8-12-16-18/h8,11-12,15-17H,3-7,9-10,13-14H2,1-2H3
- InChI Key
- ZYHJQFMTTFCBKH-UHFFFAOYSA-N
- Formula
- C18H30
- SMILES
- CCCCCCC(CCCCC)c1ccccc1
- Molecular Weight1
- 246.43
- CAS
- 2719-62-2
- Other Names
-
- Dodecane, 6-phenyl-
- 6-Phenyldodecane
- 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.
- I : 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 | 0.6636 | Relay (1.0) Calculated Property | |
| ΔfG° | 210.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -159.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.321 | Crippen Calculated Property | |
| McVol | 240.720 | ml/mol | McGowan Calculated Property |
| Pc | 1471.36 | kPa | Joback Calculated Property |
| Inp | [293.00; 1727.00] |
|
|
| Inp | 1718.00 | NIST | |
| Inp | 1718.00 | NIST | |
| Inp | 1719.00 | NIST | |
| Inp | 1727.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 293.00 | NIST | |
| Inp | 1719.00 | NIST | |
| Inp | 1718.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 293.00 | NIST | |
| I | 1918.00 | NIST | |
| Tboil | 574.17 | K | Relay (1.0) Calculated Property |
| Tc | 770.73 | K | Relay (1.0) Calculated Property |
| Tfus | 248.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.901 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.76; 829.98] | 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 | -4.90610e+01 | |||
| Coefficient B | 1.64084e+00 | |||
| Coefficient C | -9.89800e-04 | |||
| Coefficient D | 2.28000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 329.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 417.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 495.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 564.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 625.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 678.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 725.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 765.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 799.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 829.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0040664; 0.0001592] | Pa×s | [304.04; 578.47] |
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 | -1.23349e+01 | |||
| Coefficient B | 2.07656e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 304.04 | |||
| Temperature range, max. | 578.47 | |||
| η | 0.0040664 | Pa×s | 304.04 | Calculated Property |
| η | 0.0021820 | Pa×s | 334.53 | Calculated Property |
| η | 0.0012991 | Pa×s | 365.02 | Calculated Property |
| η | 0.0008379 | Pa×s | 395.52 | Calculated Property |
| η | 0.0005754 | Pa×s | 426.01 | Calculated Property |
| η | 0.0004155 | Pa×s | 456.50 | Calculated Property |
| η | 0.0003125 | Pa×s | 486.99 | Calculated Property |
| η | 0.0002431 | Pa×s | 517.49 | Calculated Property |
| η | 0.0001944 | Pa×s | 547.98 | Calculated Property |
| η | 0.0001592 | Pa×s | 578.47 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1-pentylheptyl)-.
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