- InChI
- InChI=1S/C30H62/c1-5-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-30(7-3,8-4)28-26-10-6-2/h5-29H2,1-4H3
- InChI Key
- LFEGVRRICLNHBD-UHFFFAOYSA-N
- Formula
- C30H62
- SMILES
-
CCCCCCCCCCCCCCCCCCCCC(CC)(CC)C
CCCC - Molecular Weight1
- 422.81
- 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 | 1.0961 | Relay (1.0) Calculated Property | |
| ΔfG° | 204.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -643.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.805 | Crippen Calculated Property | |
| McVol | 433.560 | ml/mol | McGowan Calculated Property |
| Pc | 601.03 | kPa | Joback Calculated Property |
| Inp | 2901.00 | NIST | |
| Tboil | 641.40 | K | Relay (1.0) Calculated Property |
| Tc | 822.07 | K | Relay (1.0) Calculated Property |
| Tfus | 259.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.651 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [640.43; 1568.53] | 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 | -4.88550e+01 | |||
| Coefficient B | 2.97968e+00 | |||
| Coefficient C | -1.78000e-03 | |||
| Coefficient D | 4.17700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 640.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 801.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 944.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1071.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1183.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1282.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1368.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1444.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1510.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1568.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010558; 0.0000353] | Pa×s | [430.28; 759.15] |
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 | -1.46990e+01 | |||
| Coefficient B | 3.37578e+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. | 430.28 | |||
| Temperature range, max. | 759.15 | |||
| η | 0.0010558 | Pa×s | 430.28 | Calculated Property |
| η | 0.0005713 | Pa×s | 466.82 | Calculated Property |
| η | 0.0003380 | Pa×s | 503.36 | Calculated Property |
| η | 0.0002147 | Pa×s | 539.90 | Calculated Property |
| η | 0.0001444 | Pa×s | 576.45 | Calculated Property |
| η | 0.0001019 | Pa×s | 612.99 | Calculated Property |
| η | 0.0000747 | Pa×s | 649.53 | Calculated Property |
| η | 0.0000567 | Pa×s | 686.07 | Calculated Property |
| η | 0.0000442 | Pa×s | 722.61 | Calculated Property |
| η | 0.0000353 | Pa×s | 759.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 6,6-Diethylhexacosane.
Sources
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