- InChI
- InChI=1S/C38H76/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-38(3)36-34-32-30-28-15-13-11-9-7-5-2/h24-25,38H,4-23,26-37H2,1-3H3/b25-24+
- InChI Key
- UGCYHMJKWCKGTR-OCOZRVBESA-N
- Formula
- C38H76
- SMILES
-
CCCCCCCCCCCCCCC/C=C/CCCCCCCC(C
)CCCCCCCCCCCC - Molecular Weight1
- 533.03
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 | 1.3681 | Relay (1.0) Calculated Property | |
| ΔfG° | 346.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -749.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 90.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 180.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.702 | Crippen Calculated Property | |
| McVol | 541.980 | ml/mol | McGowan Calculated Property |
| Pc | 432.94 | kPa | Joback Calculated Property |
| Inp | [3696.00; 3696.00] |
|
|
| Inp | 3696.00 | NIST | |
| Inp | 3696.00 | NIST | |
| Tboil | 690.54 | K | Relay (1.0) Calculated Property |
| Tc | 866.77 | K | Relay (1.0) Calculated Property |
| Tfus | 298.78 | K | Relay (1.0) Calculated Property |
| Vc | 2.081 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [797.29; 1949.74] | 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 | -4.75180e+01 | |||
| Coefficient B | 3.63976e+00 | |||
| Coefficient C | -2.13040e-03 | |||
| Coefficient D | 4.87900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 797.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 995.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1171.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1329.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1468.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1591.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1699.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1794.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1877.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1949.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003678; 0.0000081] | Pa×s | [497.94; 970.15] |
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 | -1.57454e+01 | |||
| Coefficient B | 3.90258e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 497.94 | |||
| Temperature range, max. | 970.15 | |||
| η | 0.0003678 | Pa×s | 497.94 | Calculated Property |
| η | 0.0001742 | Pa×s | 550.41 | Calculated Property |
| η | 0.0000940 | Pa×s | 602.87 | Calculated Property |
| η | 0.0000560 | Pa×s | 655.34 | Calculated Property |
| η | 0.0000360 | Pa×s | 707.81 | Calculated Property |
| η | 0.0000246 | Pa×s | 760.28 | Calculated Property |
| η | 0.0000177 | Pa×s | 812.74 | Calculated Property |
| η | 0.0000132 | Pa×s | 865.21 | Calculated Property |
| η | 0.0000102 | Pa×s | 917.68 | Calculated Property |
| η | 0.0000081 | Pa×s | 970.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 16-Heptatricosene, 25-methyl.
Sources
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