- InChI
- InChI=1S/C29H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30/h30H,2-29H2,1H3
- InChI Key
- PKBSGDQYUYBUDY-UHFFFAOYSA-N
- Formula
- C29H60O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
- Molecular Weight1
- 424.79
- CAS
- 6624-76-6
- 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).
- 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 | 1.4473 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -806.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 176.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.531 | Crippen Calculated Property | |
| McVol | 425.340 | ml/mol | McGowan Calculated Property |
| Pc | 654.10 | kPa | Joback Calculated Property |
| Tboil | 668.13 | K | Relay (1.0) Calculated Property |
| Tc | 852.26 | K | Relay (1.0) Calculated Property |
| Tfus | 357.75 ± 0.50 | K | NIST |
| Vc | 1.687 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [633.18; 1534.14] | 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 | -1.81820e+01 | |||
| Coefficient B | 2.79282e+00 | |||
| Coefficient C | -1.58420e-03 | |||
| Coefficient D | 3.43700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 633.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 786.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 924.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1047.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1156.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1252.99 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1337.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1412.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1477.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1534.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0151291; 0.0000074] | Pa×s | [357.75; 837.34] |
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 | -1.74984e+01 | |||
| Coefficient B | 4.76067e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 357.75 | |||
| Temperature range, max. | 837.34 | |||
| η | 0.0151291 | Pa×s | 357.75 | Calculated Property |
| η | 0.0026951 | Pa×s | 411.04 | Calculated Property |
| η | 0.0007134 | Pa×s | 464.33 | Calculated Property |
| η | 0.0002483 | Pa×s | 517.61 | Calculated Property |
| η | 0.0001052 | Pa×s | 570.90 | Calculated Property |
| η | 0.0000516 | Pa×s | 624.19 | Calculated Property |
| η | 0.0000283 | Pa×s | 677.48 | Calculated Property |
| η | 0.0000170 | Pa×s | 730.77 | Calculated Property |
| η | 0.0000109 | Pa×s | 784.06 | Calculated Property |
| η | 0.0000074 | Pa×s | 837.34 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [571.00; 785.45] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53126e+01 | |||
| Coefficient B | -6.41434e+03 | |||
| Coefficient C | -1.44090e+02 | |||
| Temperature range, min. | 571.00 | |||
| Temperature range, max. | 785.45 | |||
| Pvap | 1.33 | kPa | 571.00 | Calculated Property |
| Pvap | 2.95 | kPa | 594.83 | Calculated Property |
| Pvap | 6.03 | kPa | 618.66 | Calculated Property |
| Pvap | 11.50 | kPa | 642.48 | Calculated Property |
| Pvap | 20.69 | kPa | 666.31 | Calculated Property |
| Pvap | 35.37 | kPa | 690.14 | Calculated Property |
| Pvap | 57.80 | kPa | 713.97 | Calculated Property |
| Pvap | 90.80 | kPa | 737.79 | Calculated Property |
| Pvap | 137.77 | kPa | 761.62 | Calculated Property |
| Pvap | 202.65 | kPa | 785.45 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Nonacosanol.
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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