- InChI
- InChI=1S/C38H78/c1-4-7-10-13-16-19-22-25-28-31-34-37-38(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h38H,4-37H2,1-3H3
- InChI Key
- IQPARKNJBHMRSZ-UHFFFAOYSA-N
- Formula
- C38H78
- SMILES
-
CCCCCCCCCCCCCC(CCCCCCCCCCCC)CC
CCCCCCCCCC - Molecular Weight1
- 535.03
- CAS
- 55517-73-2
- Other Names
-
- 13-n-Dodecylhexacosane
- 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).
- 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 | 1.4341 | Relay (1.0) Calculated Property | |
| ΔfG° | 266.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -827.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 90.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 179.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.926 | Crippen Calculated Property | |
| McVol | 546.280 | ml/mol | McGowan Calculated Property |
| Pc | 423.73 | kPa | Joback Calculated Property |
| Tboil | 691.98 | K | Relay (1.0) Calculated Property |
| Tc | 858.16 | K | Relay (1.0) Calculated Property |
| Tfus | [286.85; 286.90] | K |
|
| Tfus | 286.85 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 286.90 ± 1.00 | K | NIST |
| Vc | 2.126 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [811.29; 1980.32] | 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 | -3.33360e+01 | |||
| Coefficient B | 3.61976e+00 | |||
| Coefficient C | -2.04660e-03 | |||
| Coefficient D | 4.40500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 811.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1010.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1189.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1348.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1490.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1615.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1725.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1822.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1906.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1980.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1395871; 0.0000090] | Pa×s | [286.88; 972.80] |
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 | -1.56557e+01 | |||
| Coefficient B | 3.92634e+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. | 286.88 | |||
| Temperature range, max. | 972.80 | |||
| η | 0.1395871 | Pa×s | 286.88 | Calculated Property |
| η | 0.0078917 | Pa×s | 363.09 | Calculated Property |
| η | 0.0012089 | Pa×s | 439.30 | Calculated Property |
| η | 0.0003225 | Pa×s | 515.52 | Calculated Property |
| η | 0.0001209 | Pa×s | 591.73 | Calculated Property |
| η | 0.0000567 | Pa×s | 667.95 | Calculated Property |
| η | 0.0000311 | Pa×s | 744.16 | Calculated Property |
| η | 0.0000190 | Pa×s | 820.37 | Calculated Property |
| η | 0.0000127 | Pa×s | 896.59 | Calculated Property |
| η | 0.0000090 | Pa×s | 972.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexacosane, 13-dodecyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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