- InChI
- InChI=1S/C35H72/c1-8-10-11-12-13-14-15-16-17-18-22-34(6)29-30-35(7)28-21-27-33(5)26-20-25-32(4)24-19-23-31(3)9-2/h31-35H,8-30H2,1-7H3
- InChI Key
- SEBDCFHTWZYJFE-UHFFFAOYSA-N
- Formula
- C35H72
- SMILES
-
CCCCCCCCCCCCC(C)CCC(C)CCCC(C)C
CCC(C)CCCC(C)CC - Molecular Weight1
- 492.95
- 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 | 1.1786 | Relay (1.0) Calculated Property | |
| ΔfG° | 231.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -868.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 149.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.179 | Crippen Calculated Property | |
| McVol | 504.010 | ml/mol | McGowan Calculated Property |
| Pc | 485.59 | kPa | Joback Calculated Property |
| Inp | 3187.00 | NIST | |
| Tboil | 677.79 | K | Relay (1.0) Calculated Property |
| Tc | 849.17 | K | Relay (1.0) Calculated Property |
| Tfus | 241.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.921 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [746.39; 1827.70] | 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 | -3.73370e+01 | |||
| Coefficient B | 3.35844e+00 | |||
| Coefficient C | -1.89620e-03 | |||
| Coefficient D | 4.02800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 746.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 931.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1097.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1244.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1376.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1492.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1593.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1682.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1760.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1827.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016578; 0.0000119] | Pa×s | [409.21; 874.36] |
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 | -1.56766e+01 | |||
| Coefficient B | 3.79514e+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. | 409.21 | |||
| Temperature range, max. | 874.36 | |||
| η | 0.0016578 | Pa×s | 409.21 | Calculated Property |
| η | 0.0005860 | Pa×s | 460.89 | Calculated Property |
| η | 0.0002554 | Pa×s | 512.58 | Calculated Property |
| η | 0.0001296 | Pa×s | 564.26 | Calculated Property |
| η | 0.0000737 | Pa×s | 615.94 | Calculated Property |
| η | 0.0000458 | Pa×s | 667.63 | Calculated Property |
| η | 0.0000304 | Pa×s | 719.31 | Calculated Property |
| η | 0.0000214 | Pa×s | 770.99 | Calculated Property |
| η | 0.0000157 | Pa×s | 822.68 | Calculated Property |
| η | 0.0000119 | Pa×s | 874.36 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,7,11,15,18-Pentamethyltriacontane.
Sources
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