- InChI
- InChI=1S/C31H56/c1-3-5-7-9-11-13-15-17-19-22-26-30(31-28-24-21-25-29-31)27-23-20-18-16-14-12-10-8-6-4-2/h21,24-25,28-30H,3-20,22-23,26-27H2,1-2H3
- InChI Key
- FARZSOUCOJBKMW-UHFFFAOYSA-N
- Formula
- C31H56
- SMILES
-
CCCCCCCCCCCCC(CCCCCCCCCCCC)c1c
cccc1 - Molecular Weight1
- 428.78
- CAS
- 6006-90-2
- Other Names
-
- 13-Phenylpentacosane
- Benzene, (1-dodecyltridecyl)-
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 1.1323 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -19515.00 ± 7.50 | kJ/mol | NIST |
| ΔfG° | 320.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -438.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -687.00 ± 7.60 | kJ/mol | NIST |
| ΔfusH° | 66.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.392 | Crippen Calculated Property | |
| McVol | 423.890 | ml/mol | McGowan Calculated Property |
| Pc | 672.90 | kPa | Joback Calculated Property |
| Tboil | 671.46 | K | Relay (1.0) Calculated Property |
| Tc | 861.97 | K | Relay (1.0) Calculated Property |
| Tfus | [138.10; 304.85] | K |
|
| Tfus | 304.85 ± 0.50 | K | NIST |
| Tfus | 138.10 ± 6.27 | K | NIST |
| Vc | 1.622 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1457.24; 1582.20] | J/mol×K | [934.92; 1146.15] |
|
| Cp,gas | 1457.24 | J/mol×K | 934.92 | Joback Calculated Property |
| Cp,gas | 1481.34 | J/mol×K | 970.13 | Joback Calculated Property |
| Cp,gas | 1504.00 | J/mol×K | 1005.33 | Joback Calculated Property |
| Cp,gas | 1525.32 | J/mol×K | 1040.54 | Joback Calculated Property |
| Cp,gas | 1545.39 | J/mol×K | 1075.74 | Joback Calculated Property |
| Cp,gas | 1564.32 | J/mol×K | 1110.95 | Joback Calculated Property |
| Cp,gas | 1582.20 | J/mol×K | 1146.15 | Joback Calculated Property |
| η | [0.0000196; 0.0008742] | Pa×s | [450.55; 934.92] |
|
| η | 0.0008742 | Pa×s | 450.55 | Joback Calculated Property |
| η | 0.0002872 | Pa×s | 531.28 | Joback Calculated Property |
| η | 0.0001265 | Pa×s | 612.01 | Joback Calculated Property |
| η | 0.0000675 | Pa×s | 692.73 | Joback Calculated Property |
| η | 0.0000411 | Pa×s | 773.46 | Joback Calculated Property |
| η | 0.0000274 | Pa×s | 854.19 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 934.92 | Joback Calculated Property |
| ΔvapH | 106.70 | kJ/mol | 527.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [560.12; 800.11] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39905e+01 | |||
| Coefficient B | -5.68118e+03 | |||
| Coefficient C | -1.45522e+02 | |||
| Temperature range, min. | 560.12 | |||
| Temperature range, max. | 800.11 | |||
| Pvap | 1.33 | kPa | 560.12 | Calculated Property |
| Pvap | 3.05 | kPa | 586.79 | Calculated Property |
| Pvap | 6.36 | kPa | 613.45 | Calculated Property |
| Pvap | 12.23 | kPa | 640.12 | Calculated Property |
| Pvap | 22.01 | kPa | 666.78 | Calculated Property |
| Pvap | 37.41 | kPa | 693.45 | Calculated Property |
| Pvap | 60.53 | kPa | 720.11 | Calculated Property |
| Pvap | 93.84 | kPa | 746.78 | Calculated Property |
| Pvap | 140.17 | kPa | 773.44 | Calculated Property |
| Pvap | 202.64 | kPa | 800.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentacosane, 13-phenyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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