- InChI
- InChI=1S/C34H70/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-27-30-33-34(31-28-25-14-11-8-5-2)32-29-26-15-12-9-6-3/h34H,4-33H2,1-3H3
- InChI Key
- CDTWRIBBCOMBSI-UHFFFAOYSA-N
- Formula
- C34H70
- SMILES
-
CCCCCCCCCCCCCCCCCC(CCCCCCCC)CC
CCCCCC - Molecular Weight1
- 478.93
- CAS
- 55429-83-9
- Other Names
-
- 9-Octylhexacosane
- 9-n-Octylhexacosane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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 | 1.2938 | Relay (1.0) Calculated Property | |
| ΔfG° | 232.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -746.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 80.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 160.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.365 | Crippen Calculated Property | |
| McVol | 489.920 | ml/mol | McGowan Calculated Property |
| Pc | 499.58 | kPa | Joback Calculated Property |
| Tboil | 667.15 | K | Relay (1.0) Calculated Property |
| Tc | 836.60 | K | Relay (1.0) Calculated Property |
| Tfus | 296.00 ± 1.00 | K | NIST |
| Vc | 1.909 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 110.30 | kJ/mol | 556.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [726.44; 1773.96] | 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 | -2.97000e+01 | |||
| Coefficient B | 3.23976e+00 | |||
| Coefficient C | -1.82900e-03 | |||
| Coefficient D | 3.92900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 726.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 904.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1065.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1207.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1334.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1447.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1545.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1632.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1708.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1773.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0508840; 0.0000196] | Pa×s | [296.00; 858.92] |
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 | -1.49704e+01 | |||
| Coefficient B | 3.54970e+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. | 296.00 | |||
| Temperature range, max. | 858.92 | |||
| η | 0.0508840 | Pa×s | 296.00 | Calculated Property |
| η | 0.0062813 | Pa×s | 358.55 | Calculated Property |
| η | 0.0014435 | Pa×s | 421.09 | Calculated Property |
| η | 0.0004852 | Pa×s | 483.64 | Calculated Property |
| η | 0.0002094 | Pa×s | 546.19 | Calculated Property |
| η | 0.0001074 | Pa×s | 608.73 | Calculated Property |
| η | 0.0000624 | Pa×s | 671.28 | Calculated Property |
| η | 0.0000397 | Pa×s | 733.82 | Calculated Property |
| η | 0.0000272 | Pa×s | 796.37 | Calculated Property |
| η | 0.0000196 | Pa×s | 858.92 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [572.00; 792.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.50131e+01 | |||
| Coefficient B | -6.26024e+03 | |||
| Coefficient C | -1.46870e+02 | |||
| Temperature range, min. | 572.00 | |||
| Temperature range, max. | 792.15 | |||
| Pvap | 1.33 | kPa | 572.00 | Calculated Property |
| Pvap | 2.97 | kPa | 596.46 | Calculated Property |
| Pvap | 6.09 | kPa | 620.92 | Calculated Property |
| Pvap | 11.65 | kPa | 645.38 | Calculated Property |
| Pvap | 20.96 | kPa | 669.84 | Calculated Property |
| Pvap | 35.78 | kPa | 694.31 | Calculated Property |
| Pvap | 58.36 | kPa | 718.77 | Calculated Property |
| Pvap | 91.43 | kPa | 743.23 | Calculated Property |
| Pvap | 138.27 | kPa | 767.69 | Calculated Property |
| Pvap | 202.65 | kPa | 792.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexacosane, 9-octyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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