- InChI
- InChI=1S/C37H76/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-37(4)35-32-34-36(3)6-2/h36-37H,5-35H2,1-4H3
- InChI Key
- VGPJDHPPCZZNLD-UHFFFAOYSA-N
- Formula
- C37H76
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(
C)CCCC(C)CC - Molecular Weight1
- 521.01
- 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 | 1.3733 | Relay (1.0) Calculated Property | |
| ΔfG° | 255.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -840.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 84.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 175.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.391 | Crippen Calculated Property | |
| McVol | 532.190 | ml/mol | McGowan Calculated Property |
| Pc | 442.47 | kPa | Joback Calculated Property |
| Inp | [3610.00; 3610.00] |
|
|
| Inp | 3610.00 | NIST | |
| Inp | 3610.00 | NIST | |
| Inp | 3610.00 | NIST | |
| Inp | 3610.00 | NIST | |
| Inp | 3610.00 | NIST | |
| Tboil | 685.53 | K | Relay (1.0) Calculated Property |
| Tc | 855.76 | K | Relay (1.0) Calculated Property |
| Tfus | 296.54 | K | Relay (1.0) Calculated Property |
| Vc | 2.076 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [789.76; 1929.27] | 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 | -3.41090e+01 | |||
| Coefficient B | 3.53068e+00 | |||
| Coefficient C | -1.99540e-03 | |||
| Coefficient D | 4.28100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 789.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 984.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1158.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1314.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1452.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1574.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1681.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1775.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1857.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1929.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005532; 0.0000102] | Pa×s | [476.75; 938.42] |
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 | -1.56172e+01 | |||
| Coefficient B | 3.87000e+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. | 476.75 | |||
| Temperature range, max. | 938.42 | |||
| η | 0.0005532 | Pa×s | 476.75 | Calculated Property |
| η | 0.0002514 | Pa×s | 528.05 | Calculated Property |
| η | 0.0001314 | Pa×s | 579.34 | Calculated Property |
| η | 0.0000763 | Pa×s | 630.64 | Calculated Property |
| η | 0.0000481 | Pa×s | 681.94 | Calculated Property |
| η | 0.0000323 | Pa×s | 733.23 | Calculated Property |
| η | 0.0000229 | Pa×s | 784.53 | Calculated Property |
| η | 0.0000169 | Pa×s | 835.83 | Calculated Property |
| η | 0.0000129 | Pa×s | 887.12 | Calculated Property |
| η | 0.0000102 | Pa×s | 938.42 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentatriacontane, 3,7-dimethyl.
Sources
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