- InChI
- InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-22-20(21)18-6-4-2/h3-19H2,1-2H3
- InChI Key
- ZDYLNFIQQYOUMX-UHFFFAOYSA-N
- Formula
- C20H40O2
- SMILES
- CCCCCCCCCCCCCCCOC(=O)CCCC
- Molecular Weight1
- 312.53
- CAS
- 125164-53-6
- 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).
- 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 | 0.9761 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.811 | Crippen Calculated Property | |
| McVol | 300.100 | ml/mol | McGowan Calculated Property |
| Pc | 1018.78 | kPa | Joback Calculated Property |
| Tboil | 591.79 | K | Relay (1.0) Calculated Property |
| Tc | 776.07 | K | Relay (1.0) Calculated Property |
| Tfus | 283.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.184 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [898.83; 1004.02] | J/mol×K | [715.42; 883.67] | 
|
| Cp,gas | 898.83 | J/mol×K | 715.42 | Joback Calculated Property |
| Cp,gas | 918.61 | J/mol×K | 743.46 | Joback Calculated Property |
| Cp,gas | 937.46 | J/mol×K | 771.50 | Joback Calculated Property |
| Cp,gas | 955.41 | J/mol×K | 799.55 | Joback Calculated Property |
| Cp,gas | 972.47 | J/mol×K | 827.59 | Joback Calculated Property |
| Cp,gas | 988.67 | J/mol×K | 855.63 | Joback Calculated Property |
| Cp,gas | 1004.02 | J/mol×K | 883.67 | Joback Calculated Property |
| η | [0.0000655; 0.0024348] | Pa×s | [357.49; 715.42] |
|
| η | 0.0024348 | Pa×s | 357.49 | Joback Calculated Property |
| η | 0.0008663 | Pa×s | 417.15 | Joback Calculated Property |
| η | 0.0003992 | Pa×s | 476.80 | Joback Calculated Property |
| η | 0.0002185 | Pa×s | 536.46 | Joback Calculated Property |
| η | 0.0001350 | Pa×s | 596.11 | Joback Calculated Property |
| η | 0.0000910 | Pa×s | 655.77 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 715.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, pentadecyl ester.
Sources
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