- InChI
- InChI=1S/C21H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21(22)19-6-4-2/h3-20H2,1-2H3
- InChI Key
- OSIFZWLCMRYWEE-UHFFFAOYSA-N
- Formula
- C21H42O2
- SMILES
- CCCCCCCCCCCCCCCCOC(=O)CCCC
- Molecular Weight1
- 326.56
- CAS
- 125164-54-7
- 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 | 1.0112 | Relay (1.0) Calculated Property | |
| ΔfG° | -107.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -794.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.201 | Crippen Calculated Property | |
| McVol | 314.190 | ml/mol | McGowan Calculated Property |
| Pc | 983.93 | kPa | Joback Calculated Property |
| Tboil | 598.56 | K | Relay (1.0) Calculated Property |
| Tc | 780.55 | K | Relay (1.0) Calculated Property |
| Tfus | 291.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.238 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [969.32; 1075.99] | J/mol×K | [756.17; 929.77] | 
|
| Cp,gas | 969.32 | J/mol×K | 756.17 | Joback Calculated Property |
| Cp,gas | 989.43 | J/mol×K | 785.10 | Joback Calculated Property |
| Cp,gas | 1008.57 | J/mol×K | 814.04 | Joback Calculated Property |
| Cp,gas | 1026.77 | J/mol×K | 842.97 | Joback Calculated Property |
| Cp,gas | 1044.06 | J/mol×K | 871.90 | Joback Calculated Property |
| Cp,gas | 1060.46 | J/mol×K | 900.83 | Joback Calculated Property |
| Cp,gas | 1075.99 | J/mol×K | 929.77 | Joback Calculated Property |
| η | [0.0000640; 0.0014949] | Pa×s | [398.59; 756.17] |
|
| η | 0.0014949 | Pa×s | 398.59 | Joback Calculated Property |
| η | 0.0006283 | Pa×s | 458.19 | Joback Calculated Property |
| η | 0.0003224 | Pa×s | 517.78 | Joback Calculated Property |
| η | 0.0001899 | Pa×s | 577.38 | Joback Calculated Property |
| η | 0.0001235 | Pa×s | 636.98 | Joback Calculated Property |
| η | 0.0000864 | Pa×s | 696.57 | Joback Calculated Property |
| η | 0.0000640 | Pa×s | 756.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, hexadecyl ester.
Sources
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