- InChI
- InChI=1S/C35H72/c1-7-9-11-13-14-15-16-19-25-33(4)29-23-31-35(6)27-21-17-20-26-34(5)30-22-28-32(3)24-18-12-10-8-2/h32-35H,7-31H2,1-6H3
- InChI Key
- LKXMEYHUXXRQDE-UHFFFAOYSA-N
- Formula
- C35H72
- SMILES
-
CCCCCCCCCCC(C)CCCC(C)CCCCCC(C)
CCCC(C)CCCCCC - Molecular Weight1
- 492.96
- 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 | 1.2159 | Relay (1.0) Calculated Property | |
| ΔfG° | 234.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -846.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 155.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.323 | Crippen Calculated Property | |
| McVol | 504.010 | ml/mol | McGowan Calculated Property |
| Pc | 483.88 | kPa | Joback Calculated Property |
| Inp | 3240.00 | NIST | |
| Tboil | 675.36 | K | Relay (1.0) Calculated Property |
| Tc | 847.86 | K | Relay (1.0) Calculated Property |
| Tfus | 254.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.937 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [746.71; 1827.17] | 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 | -3.56550e+01 | |||
| Coefficient B | 3.35252e+00 | |||
| Coefficient C | -1.89300e-03 | |||
| Coefficient D | 4.03300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 746.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 931.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1096.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1244.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1375.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1491.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1593.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1682.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1759.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1827.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012491; 0.0000129] | Pa×s | [424.21; 876.93] |
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 | -1.55426e+01 | |||
| Coefficient B | 3.75732e+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. | 424.21 | |||
| Temperature range, max. | 876.93 | |||
| η | 0.0012491 | Pa×s | 424.21 | Calculated Property |
| η | 0.0004884 | Pa×s | 474.51 | Calculated Property |
| η | 0.0002287 | Pa×s | 524.82 | Calculated Property |
| η | 0.0001223 | Pa×s | 575.12 | Calculated Property |
| η | 0.0000723 | Pa×s | 625.42 | Calculated Property |
| η | 0.0000462 | Pa×s | 675.72 | Calculated Property |
| η | 0.0000314 | Pa×s | 726.03 | Calculated Property |
| η | 0.0000225 | Pa×s | 776.33 | Calculated Property |
| η | 0.0000167 | Pa×s | 826.63 | Calculated Property |
| η | 0.0000129 | Pa×s | 876.93 | Calculated Property |
Similar Compounds
Find more compounds similar to 7,11,17,21-tetramethylhentriacontane.
Sources
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