- InChI
- InChI=1S/C39H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-34-38(39-36-32-29-33-37-39)35-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32-33,36-38H,3-28,30-31,34-35H2,1-2H3
- InChI Key
- UZKLDVKDLHPERA-UHFFFAOYSA-N
- Formula
- C39H72
- SMILES
-
CCCCCCCCCCCCCCCCC(CCCCCCCCCCCC
CCCC)c1ccccc1 - Molecular Weight1
- 540.99
- CAS
- 55517-74-3
- Other Names
-
- 17-Phenyltritriacontane
- 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° | 387.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -617.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 87.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.30 | kJ/mol | Joback Calculated Property |
| log10WS | -15.21 | Crippen Calculated Property | |
| logPoct/wat | 14.513 | Crippen Calculated Property | |
| McVol | 536.610 | ml/mol | McGowan Calculated Property |
| Pc | 467.90 | kPa | Joback Calculated Property |
| Tboil | 1117.96 | K | Joback Calculated Property |
| Tc | 1428.15 | K | Joback Calculated Property |
| Tfus | 540.71 | K | Joback Calculated Property |
| Vc | 2.106 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1999.43; 2167.58] | J/mol×K | [1117.96; 1428.15] | 
|
| Cp,gas | 1999.43 | J/mol×K | 1117.96 | Joback Calculated Property |
| Cp,gas | 2032.22 | J/mol×K | 1169.66 | Joback Calculated Property |
| Cp,gas | 2062.57 | J/mol×K | 1221.36 | Joback Calculated Property |
| Cp,gas | 2090.89 | J/mol×K | 1273.06 | Joback Calculated Property |
| Cp,gas | 2117.56 | J/mol×K | 1324.75 | Joback Calculated Property |
| Cp,gas | 2142.99 | J/mol×K | 1376.45 | Joback Calculated Property |
| Cp,gas | 2167.58 | J/mol×K | 1428.15 | Joback Calculated Property |
| η | [0.0000056; 0.0002665] | Pa×s | [540.71; 1117.96] |
|
| η | 0.0002665 | Pa×s | 540.71 | Joback Calculated Property |
| η | 0.0000859 | Pa×s | 636.92 | Joback Calculated Property |
| η | 0.0000372 | Pa×s | 733.13 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 829.34 | Joback Calculated Property |
| η | 0.0000118 | Pa×s | 925.54 | Joback Calculated Property |
| η | 0.0000078 | Pa×s | 1021.75 | Joback Calculated Property |
| η | 0.0000056 | Pa×s | 1117.96 | Joback Calculated Property |
| ΔvapH | 147.10 | kJ/mol | 557.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [596.00; 885.10] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.29231e+01 | |||
| Coefficient B | -5.53446e+03 | |||
| Coefficient C | -1.57990e+02 | |||
| Temperature range, min. | 596.00 | |||
| Temperature range, max. | 885.10 | |||
| Pvap | 1.33 | kPa | 596.00 | Calculated Property |
| Pvap | 3.16 | kPa | 628.12 | Calculated Property |
| Pvap | 6.71 | kPa | 660.24 | Calculated Property |
| Pvap | 13.02 | kPa | 692.37 | Calculated Property |
| Pvap | 23.42 | kPa | 724.49 | Calculated Property |
| Pvap | 39.56 | kPa | 756.61 | Calculated Property |
| Pvap | 63.34 | kPa | 788.73 | Calculated Property |
| Pvap | 96.91 | kPa | 820.86 | Calculated Property |
| Pvap | 142.55 | kPa | 852.98 | Calculated Property |
| Pvap | 202.65 | kPa | 885.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1-hexadecylheptadecyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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