- InChI
- InChI=1S/C26H46/c1-4-6-8-10-11-12-13-15-17-19-25(18-16-14-9-7-5-2)26-22-20-24(3)21-23-26/h20-23,25H,4-19H2,1-3H3
- InChI Key
- OGAMHWGABJDLOK-UHFFFAOYSA-N
- Formula
- C26H46
- SMILES
-
CCCCCCCCCCCC(CCCCCCC)c1ccc(C)c
c1 - Molecular Weight1
- 358.64
- CAS
- 55191-36-1
- Other Names
-
- 1-Methyl-4-(1'-n-heptyldodecyl)benzene
- 8-(4'-Methylphenyl)nonadecane
- 8-(4-Tolyl)nonadecane
- 8-p-Tolylnonadecane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- Pvap : Vapor pressure (kPa).
- 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 |
|---|---|---|---|
| ΔfG° | 268.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.02 | kJ/mol | Joback Calculated Property |
| log10WS | -9.83 | Crippen Calculated Property | |
| logPoct/wat | 9.360 | Crippen Calculated Property | |
| McVol | 353.440 | ml/mol | McGowan Calculated Property |
| Pc | 870.16 | kPa | Joback Calculated Property |
| Tboil | 825.50 | K | Joback Calculated Property |
| Tc | 1015.12 | K | Joback Calculated Property |
| Tfus | 281.85 ± 0.50 | K | NIST |
| Vc | 1.377 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1133.18; 1247.43] | J/mol×K | [825.50; 1015.12] | 
|
| Cp,gas | 1133.18 | J/mol×K | 825.50 | Joback Calculated Property |
| Cp,gas | 1154.99 | J/mol×K | 857.10 | Joback Calculated Property |
| Cp,gas | 1175.61 | J/mol×K | 888.71 | Joback Calculated Property |
| Cp,gas | 1195.11 | J/mol×K | 920.31 | Joback Calculated Property |
| Cp,gas | 1213.54 | J/mol×K | 951.91 | Joback Calculated Property |
| Cp,gas | 1230.96 | J/mol×K | 983.51 | Joback Calculated Property |
| Cp,gas | 1247.43 | J/mol×K | 1015.12 | Joback Calculated Property |
| η | [0.0000414; 0.0013255] | Pa×s | [406.72; 825.50] |
|
| η | 0.0013255 | Pa×s | 406.72 | Joback Calculated Property |
| η | 0.0004873 | Pa×s | 476.52 | Joback Calculated Property |
| η | 0.0002313 | Pa×s | 546.31 | Joback Calculated Property |
| η | 0.0001300 | Pa×s | 616.11 | Joback Calculated Property |
| η | 0.0000822 | Pa×s | 685.91 | Joback Calculated Property |
| η | 0.0000565 | Pa×s | 755.70 | Joback Calculated Property |
| η | 0.0000414 | Pa×s | 825.50 | Joback Calculated Property |
| ΔvapH | 94.50 | kJ/mol | 499.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [511.20; 747.87] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.34346e+01 | |||
| Coefficient B | -5.03108e+03 | |||
| Coefficient C | -1.28522e+02 | |||
| Temperature range, min. | 511.20 | |||
| Temperature range, max. | 747.87 | |||
| Pvap | 1.33 | kPa | 511.20 | Calculated Property |
| Pvap | 3.10 | kPa | 537.50 | Calculated Property |
| Pvap | 6.53 | kPa | 563.79 | Calculated Property |
| Pvap | 12.61 | kPa | 590.09 | Calculated Property |
| Pvap | 22.70 | kPa | 616.39 | Calculated Property |
| Pvap | 38.46 | kPa | 642.68 | Calculated Property |
| Pvap | 61.91 | kPa | 668.98 | Calculated Property |
| Pvap | 95.36 | kPa | 695.28 | Calculated Property |
| Pvap | 141.35 | kPa | 721.57 | Calculated Property |
| Pvap | 202.64 | kPa | 747.87 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-(1-heptyldodecyl)-4-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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