- InChI
- InChI=1S/C35H64/c1-3-5-7-9-11-13-15-17-19-21-23-26-30-34(35-32-28-25-29-33-35)31-27-24-22-20-18-16-14-12-10-8-6-4-2/h25,28-29,32-34H,3-24,26-27,30-31H2,1-2H3
- InChI Key
- YNXOIJANZCYQIZ-UHFFFAOYSA-N
- Formula
- C35H64
- SMILES
-
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC
)c1ccccc1 - Molecular Weight1
- 484.90
- CAS
- 56247-97-3
- Other Names
-
- 15-Phenylnonacosane
- 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).
- 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 | 1.2714 | Relay (1.0) Calculated Property | |
| ΔfG° | 353.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -522.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 156.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.953 | Crippen Calculated Property | |
| McVol | 480.250 | ml/mol | McGowan Calculated Property |
| Pc | 556.51 | kPa | Joback Calculated Property |
| Tboil | 696.61 | K | Relay (1.0) Calculated Property |
| Tc | 886.91 | K | Relay (1.0) Calculated Property |
| Tfus | 319.60 ± 0.50 | K | NIST |
| Vc | 1.843 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 126.50 | kJ/mol | 536.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [690.39; 1707.03] | 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 | -6.45140e+01 | |||
| Coefficient B | 3.25584e+00 | |||
| Coefficient C | -1.91460e-03 | |||
| Coefficient D | 4.30300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 690.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 866.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1024.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1163.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1287.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1395.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1490.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1573.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1644.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1707.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0291535; 0.0000181] | Pa×s | [319.60; 892.77] |
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 | -1.50411e+01 | |||
| Coefficient B | 3.67728e+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. | 319.60 | |||
| Temperature range, max. | 892.77 | |||
| η | 0.0291535 | Pa×s | 319.60 | Calculated Property |
| η | 0.0043094 | Pa×s | 383.29 | Calculated Property |
| η | 0.0010984 | Pa×s | 446.97 | Calculated Property |
| η | 0.0003937 | Pa×s | 510.66 | Calculated Property |
| η | 0.0001772 | Pa×s | 574.34 | Calculated Property |
| η | 0.0000935 | Pa×s | 638.03 | Calculated Property |
| η | 0.0000554 | Pa×s | 701.71 | Calculated Property |
| η | 0.0000358 | Pa×s | 765.40 | Calculated Property |
| η | 0.0000248 | Pa×s | 829.08 | Calculated Property |
| η | 0.0000181 | Pa×s | 892.77 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [575.20; 845.70] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.31944e+01 | |||
| Coefficient B | -5.47813e+03 | |||
| Coefficient C | -1.50762e+02 | |||
| Temperature range, min. | 575.20 | |||
| Temperature range, max. | 845.70 | |||
| Pvap | 1.33 | kPa | 575.20 | Calculated Property |
| Pvap | 3.13 | kPa | 605.26 | Calculated Property |
| Pvap | 6.61 | kPa | 635.31 | Calculated Property |
| Pvap | 12.80 | kPa | 665.37 | Calculated Property |
| Pvap | 23.02 | kPa | 695.42 | Calculated Property |
| Pvap | 38.96 | kPa | 725.48 | Calculated Property |
| Pvap | 62.57 | kPa | 755.53 | Calculated Property |
| Pvap | 96.07 | kPa | 785.59 | Calculated Property |
| Pvap | 141.90 | kPa | 815.64 | Calculated Property |
| Pvap | 202.65 | kPa | 845.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1-tetradecylpentadecyl)-.
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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