- InChI
- InChI=1S/C34H70/c1-28(2)16-10-18-30(5)20-12-22-32(7)24-14-26-34(9)27-15-25-33(8)23-13-21-31(6)19-11-17-29(3)4/h28-34H,10-27H2,1-9H3
- InChI Key
- NTBUHEPHLHTICO-UHFFFAOYSA-N
- Formula
- C34H70
- SMILES
-
CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC
(C)CCCC(C)CCCC(C)C - Molecular Weight1
- 478.92
- 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 | 1.0875 | Relay (1.0) Calculated Property | |
| ΔfG° | 218.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -894.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 138.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.501 | Crippen Calculated Property | |
| McVol | 489.920 | ml/mol | McGowan Calculated Property |
| Pc | 510.48 | kPa | Joback Calculated Property |
| Inp | [2937.00; 2937.00] |
|
|
| Inp | 2937.00 | NIST | |
| Inp | 2937.00 | NIST | |
| Inp | 2937.00 | NIST | |
| Inp | 2937.00 | NIST | |
| Inp | 2937.00 | NIST | |
| Tboil | 671.68 | K | Relay (1.0) Calculated Property |
| Tc | 834.77 | K | Relay (1.0) Calculated Property |
| Tfus | 229.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.852 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [724.55; 1777.19] | 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 | -3.97920e+01 | |||
| Coefficient B | 3.27528e+00 | |||
| Coefficient C | -1.84820e-03 | |||
| Coefficient D | 3.89900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 724.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 904.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1066.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1210.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1338.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1451.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1550.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1636.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1712.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1777.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0040453; 0.0000123] | Pa×s | [367.94; 845.32] |
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 | -1.57744e+01 | |||
| Coefficient B | 3.77662e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 367.94 | |||
| Temperature range, max. | 845.32 | |||
| η | 0.0040453 | Pa×s | 367.94 | Calculated Property |
| η | 0.0011099 | Pa×s | 420.98 | Calculated Property |
| η | 0.0004068 | Pa×s | 474.02 | Calculated Property |
| η | 0.0001824 | Pa×s | 527.07 | Calculated Property |
| η | 0.0000948 | Pa×s | 580.11 | Calculated Property |
| η | 0.0000549 | Pa×s | 633.15 | Calculated Property |
| η | 0.0000346 | Pa×s | 686.19 | Calculated Property |
| η | 0.0000233 | Pa×s | 739.23 | Calculated Property |
| η | 0.0000166 | Pa×s | 792.27 | Calculated Property |
| η | 0.0000123 | Pa×s | 845.32 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptacosane, 2,6,10,14,18,22,26-heptamethyl.
Sources
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