- InChI
- InChI=1S/C33H68/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(3)5-2/h33H,4-32H2,1-3H3
- InChI Key
- YXJZLSDRPAJSLL-UHFFFAOYSA-N
- Formula
- C33H68
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
(C)CC - Molecular Weight1
- 464.91
- 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 | 1.2766 | Relay (1.0) Calculated Property | |
| ΔfG° | 224.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -741.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 77.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 163.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.975 | Crippen Calculated Property | |
| McVol | 475.830 | ml/mol | McGowan Calculated Property |
| Pc | 521.73 | kPa | Joback Calculated Property |
| Inp | [3273.40; 3279.00] |
|
|
| Inp | 3278.00 | NIST | |
| Inp | 3274.00 | NIST | |
| Inp | 3273.40 | NIST | |
| Inp | 3275.00 | NIST | |
| Inp | 3275.00 | NIST | |
| Inp | 3279.00 | NIST | |
| Tboil | 658.92 | K | Relay (1.0) Calculated Property |
| Tc | 831.38 | K | Relay (1.0) Calculated Property |
| Tfus | 312.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.878 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [705.22; 1722.37] | 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 | -2.87910e+01 | |||
| Coefficient B | 3.14476e+00 | |||
| Coefficient C | -1.77460e-03 | |||
| Coefficient D | 3.81000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 705.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 878.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1033.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1172.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1295.94 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1404.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1500.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1584.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1658.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1722.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008545; 0.0000236] | Pa×s | [446.67; 833.51] |
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 | -1.48012e+01 | |||
| Coefficient B | 3.45554e+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. | 446.67 | |||
| Temperature range, max. | 833.51 | |||
| η | 0.0008545 | Pa×s | 446.67 | Calculated Property |
| η | 0.0004333 | Pa×s | 489.65 | Calculated Property |
| η | 0.0002452 | Pa×s | 532.63 | Calculated Property |
| η | 0.0001510 | Pa×s | 575.62 | Calculated Property |
| η | 0.0000995 | Pa×s | 618.60 | Calculated Property |
| η | 0.0000692 | Pa×s | 661.58 | Calculated Property |
| η | 0.0000503 | Pa×s | 704.56 | Calculated Property |
| η | 0.0000380 | Pa×s | 747.55 | Calculated Property |
| η | 0.0000295 | Pa×s | 790.53 | Calculated Property |
| η | 0.0000236 | Pa×s | 833.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyldotriacontane.
Sources
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