- InChI
- InChI=1S/C37H76/c1-8-10-11-12-13-14-15-16-17-18-19-20-24-36(6)31-32-37(7)30-23-29-35(5)28-22-27-34(4)26-21-25-33(3)9-2/h33-37H,8-32H2,1-7H3
- InChI Key
- LDZWRIRTOYMWNZ-UHFFFAOYSA-N
- Formula
- C37H76
- SMILES
-
CCCCCCCCCCCCCCC(C)CCC(C)CCCC(C
)CCCC(C)CCCC(C)CC - Molecular Weight1
- 521.00
- 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 | 1.2486 | Relay (1.0) Calculated Property | |
| ΔfG° | 248.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -909.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 158.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.959 | Crippen Calculated Property | |
| McVol | 532.190 | ml/mol | McGowan Calculated Property |
| Pc | 446.97 | kPa | Joback Calculated Property |
| Inp | 3400.00 | NIST | |
| Tboil | 690.34 | K | Relay (1.0) Calculated Property |
| Tc | 861.05 | K | Relay (1.0) Calculated Property |
| Tfus | 246.46 | K | Relay (1.0) Calculated Property |
| Vc | 2.030 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [788.82; 1930.88] | 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 | -3.91550e+01 | |||
| Coefficient B | 3.54844e+00 | |||
| Coefficient C | -2.00500e-03 | |||
| Coefficient D | 4.26600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 788.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 984.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1159.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1315.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1454.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1576.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1683.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1777.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1859.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1930.88 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011217; 0.0000081] | Pa×s | [431.75; 927.77] |
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 | -1.60192e+01 | |||
| Coefficient B | 3.98346e+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. | 431.75 | |||
| Temperature range, max. | 927.77 | |||
| η | 0.0011217 | Pa×s | 431.75 | Calculated Property |
| η | 0.0003947 | Pa×s | 486.86 | Calculated Property |
| η | 0.0001718 | Pa×s | 541.98 | Calculated Property |
| η | 0.0000872 | Pa×s | 597.09 | Calculated Property |
| η | 0.0000496 | Pa×s | 652.20 | Calculated Property |
| η | 0.0000308 | Pa×s | 707.31 | Calculated Property |
| η | 0.0000205 | Pa×s | 762.43 | Calculated Property |
| η | 0.0000144 | Pa×s | 817.54 | Calculated Property |
| η | 0.0000106 | Pa×s | 872.65 | Calculated Property |
| η | 0.0000081 | Pa×s | 927.77 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,7,11,15,18-Pentamethyldotriacontane.
Sources
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