- InChI
- InChI=1S/C34H70/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-22-28-33(4)30-25-21-26-31-34(5)29-24-20-23-27-32(3)7-2/h32-34H,6-31H2,1-5H3
- InChI Key
- XSXLFNZIKXWYPH-UHFFFAOYSA-N
- Formula
- C34H70
- SMILES
-
CCCCCCCCCCCCCCCCC(C)CCCCCC(C)C
CCCCC(C)CC - Molecular Weight1
- 478.93
- 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 | 1.2250 | Relay (1.0) Calculated Property | |
| ΔfG° | 228.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -809.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 156.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.077 | Crippen Calculated Property | |
| McVol | 489.920 | ml/mol | McGowan Calculated Property |
| Pc | 503.18 | kPa | Joback Calculated Property |
| Inp | [3231.00; 3231.00] |
|
|
| Inp | 3231.00 | NIST | |
| Inp | 3231.00 | NIST | |
| Tboil | 668.58 | K | Relay (1.0) Calculated Property |
| Tc | 840.88 | K | Relay (1.0) Calculated Property |
| Tfus | 279.26 | K | Relay (1.0) Calculated Property |
| Vc | 1.898 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [725.81; 1775.04] | 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 | -3.30640e+01 | |||
| Coefficient B | 3.25160e+00 | |||
| Coefficient C | -1.83540e-03 | |||
| Coefficient D | 3.91900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 725.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 904.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1065.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1208.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1336.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1448.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1547.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1633.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1709.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1775.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011513; 0.0000168] | Pa×s | [427.94; 853.89] |
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 | -1.52384e+01 | |||
| Coefficient B | 3.62534e+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. | 427.94 | |||
| Temperature range, max. | 853.89 | |||
| η | 0.0011513 | Pa×s | 427.94 | Calculated Property |
| η | 0.0004953 | Pa×s | 475.27 | Calculated Property |
| η | 0.0002482 | Pa×s | 522.60 | Calculated Property |
| η | 0.0001395 | Pa×s | 569.92 | Calculated Property |
| η | 0.0000857 | Pa×s | 617.25 | Calculated Property |
| η | 0.0000564 | Pa×s | 664.58 | Calculated Property |
| η | 0.0000392 | Pa×s | 711.91 | Calculated Property |
| η | 0.0000286 | Pa×s | 759.23 | Calculated Property |
| η | 0.0000216 | Pa×s | 806.56 | Calculated Property |
| η | 0.0000168 | Pa×s | 853.89 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,9,15-trimethylhentriacontane.
Sources
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