- InChI
- InChI=1S/C27H48/c1-3-5-7-9-11-13-15-18-22-26(27-24-20-17-21-25-27)23-19-16-14-12-10-8-6-4-2/h17,20-21,24-26H,3-16,18-19,22-23H2,1-2H3
- InChI Key
- NDSAOEARRHEOPX-UHFFFAOYSA-N
- Formula
- C27H48
- SMILES
-
CCCCCCCCCCC(CCCCCCCCCC)c1ccccc
1 - Molecular Weight1
- 372.68
- Other Names
-
- Benzene, (1-decylundecyl)-
- 11-Phenylheneicosane
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.9929 | Relay (1.0) Calculated Property | |
| ΔfG° | 286.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.832 | Crippen Calculated Property | |
| McVol | 367.530 | ml/mol | McGowan Calculated Property |
| Pc | 830.02 | kPa | Joback Calculated Property |
| Tboil | 646.10 | K | Relay (1.0) Calculated Property |
| Tc | 838.59 | K | Relay (1.0) Calculated Property |
| Tfus | [293.95; 293.95] | K |
|
| Tfus | 293.95 ± 0.50 | K | NIST |
| Tfus | 293.95 ± 0.40 | K | NIST |
| Ttriple | 266.90 ± 0.20 | K | NIST |
| Vc | 1.400 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 64.77 | kJ/mol | 294.30 | NIST |
| ΔvapH | 93.50 | kJ/mol | 510.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.68; 1294.30] | 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 | -5.72420e+01 | |||
| Coefficient B | 2.49584e+00 | |||
| Coefficient C | -1.47940e-03 | |||
| Coefficient D | 3.35100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 520.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 655.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 775.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 881.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 975.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1058.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1130.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1192.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1247.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1294.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0231674; 0.0000627] | Pa×s | [293.95; 724.56] |
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 | -1.37123e+01 | |||
| Coefficient B | 2.92400e+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. | 293.95 | |||
| Temperature range, max. | 724.56 | |||
| η | 0.0231674 | Pa×s | 293.95 | Calculated Property |
| η | 0.0057564 | Pa×s | 341.80 | Calculated Property |
| η | 0.0020134 | Pa×s | 389.64 | Calculated Property |
| η | 0.0008861 | Pa×s | 437.49 | Calculated Property |
| η | 0.0004585 | Pa×s | 485.33 | Calculated Property |
| η | 0.0002670 | Pa×s | 533.18 | Calculated Property |
| η | 0.0001700 | Pa×s | 581.02 | Calculated Property |
| η | 0.0001159 | Pa×s | 628.87 | Calculated Property |
| η | 0.0000834 | Pa×s | 676.71 | Calculated Property |
| η | 0.0000627 | Pa×s | 724.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Heneicosane, 11-phenyl-.
Sources
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