- InChI
- InChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-24-20(2)22/h3-19H2,1-2H3
- InChI Key
- SWPXNKMHYMFQCW-UHFFFAOYSA-N
- Formula
- C21H40O3
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)COC(C)=O
- Molecular Weight1
- 340.54
- 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 | 1.0173 | Relay (1.0) Calculated Property | |
| ΔfG° | -313.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -903.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.380 | Crippen Calculated Property | |
| McVol | 315.760 | ml/mol | McGowan Calculated Property |
| Pc | 997.65 | kPa | Joback Calculated Property |
| Tboil | 612.89 | K | Relay (1.0) Calculated Property |
| Tc | 798.40 | K | Relay (1.0) Calculated Property |
| Tfus | 335.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.220 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [989.32; 1087.84] | J/mol×K | [792.17; 972.46] | 
|
| Cp,gas | 989.32 | J/mol×K | 792.17 | Joback Calculated Property |
| Cp,gas | 1008.26 | J/mol×K | 822.22 | Joback Calculated Property |
| Cp,gas | 1026.16 | J/mol×K | 852.27 | Joback Calculated Property |
| Cp,gas | 1043.04 | J/mol×K | 882.31 | Joback Calculated Property |
| Cp,gas | 1058.92 | J/mol×K | 912.36 | Joback Calculated Property |
| Cp,gas | 1073.85 | J/mol×K | 942.41 | Joback Calculated Property |
| Cp,gas | 1087.84 | J/mol×K | 972.46 | Joback Calculated Property |
| η | [0.0000545; 0.0014657] | Pa×s | [418.69; 792.17] |
|
| η | 0.0014657 | Pa×s | 418.69 | Joback Calculated Property |
| η | 0.0005936 | Pa×s | 480.94 | Joback Calculated Property |
| η | 0.0002958 | Pa×s | 543.18 | Joback Calculated Property |
| η | 0.0001701 | Pa×s | 605.43 | Joback Calculated Property |
| η | 0.0001084 | Pa×s | 667.68 | Joback Calculated Property |
| η | 0.0000746 | Pa×s | 729.92 | Joback Calculated Property |
| η | 0.0000545 | Pa×s | 792.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Nonadecanone-1-ol, acetate.
Sources
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