- InChI
- InChI=1S/C29H58O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h3-28H2,1-2H3
- InChI Key
- ZPVRGRJHOPAZOE-UHFFFAOYSA-N
- Formula
- C29H58O
- SMILES
-
CCCCCCCCCCCCCCCCCCCC(=O)CCCCCC
CCC - Molecular Weight1
- 422.77
- CAS
- 504-56-3
- 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 | 1.2236 | Relay (1.0) Calculated Property | |
| ΔfG° | 64.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.738 | Crippen Calculated Property | |
| McVol | 421.040 | ml/mol | McGowan Calculated Property |
| Pc | 644.51 | kPa | Joback Calculated Property |
| Inp | [3089.90; 3089.90] |
|
|
| Inp | 3089.90 | NIST | |
| Inp | 3089.90 | NIST | |
| Tboil | 645.69 | K | Relay (1.0) Calculated Property |
| Tc | 842.01 | K | Relay (1.0) Calculated Property |
| Tfus | 344.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.654 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.61; 1504.49] | 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 | -1.61140e+01 | |||
| Coefficient B | 2.73084e+00 | |||
| Coefficient C | -1.53510e-03 | |||
| Coefficient D | 3.24860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 621.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 772.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 907.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1027.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1135.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1229.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1313.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1385.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1449.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1504.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008496; 0.0000471] | Pa×s | [466.52; 791.32] |
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 | -1.41171e+01 | |||
| Coefficient B | 3.28727e+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. | 466.52 | |||
| Temperature range, max. | 791.32 | |||
| η | 0.0008496 | Pa×s | 466.52 | Calculated Property |
| η | 0.0005122 | Pa×s | 502.61 | Calculated Property |
| η | 0.0003305 | Pa×s | 538.70 | Calculated Property |
| η | 0.0002253 | Pa×s | 574.79 | Calculated Property |
| η | 0.0001607 | Pa×s | 610.88 | Calculated Property |
| η | 0.0001190 | Pa×s | 646.97 | Calculated Property |
| η | 0.0000910 | Pa×s | 683.05 | Calculated Property |
| η | 0.0000715 | Pa×s | 719.14 | Calculated Property |
| η | 0.0000575 | Pa×s | 755.23 | Calculated Property |
| η | 0.0000471 | Pa×s | 791.32 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonacosan-10-one.
Sources
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