- InChI
- InChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-20-18(19)16-6-4-2/h3-17H2,1-2H3
- InChI Key
- KGUAWIPVMCVZCA-UHFFFAOYSA-N
- Formula
- C18H36O2
- SMILES
- CCCCCCCCCCCCCOC(=O)CCCC
- Molecular Weight1
- 284.48
- CAS
- 117177-34-1
- 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 | 0.9060 | Relay (1.0) Calculated Property | |
| ΔfG° | -209.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -732.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.031 | Crippen Calculated Property | |
| McVol | 271.920 | ml/mol | McGowan Calculated Property |
| Pc | 1156.14 | kPa | Joback Calculated Property |
| Tboil | 577.66 | K | Relay (1.0) Calculated Property |
| Tc | 759.69 | K | Relay (1.0) Calculated Property |
| Tfus | 272.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.071 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [780.72; 882.13] | J/mol×K | [669.66; 835.25] | 
|
| Cp,gas | 780.72 | J/mol×K | 669.66 | Joback Calculated Property |
| Cp,gas | 799.68 | J/mol×K | 697.26 | Joback Calculated Property |
| Cp,gas | 817.79 | J/mol×K | 724.86 | Joback Calculated Property |
| Cp,gas | 835.07 | J/mol×K | 752.45 | Joback Calculated Property |
| Cp,gas | 851.54 | J/mol×K | 780.05 | Joback Calculated Property |
| Cp,gas | 867.22 | J/mol×K | 807.65 | Joback Calculated Property |
| Cp,gas | 882.13 | J/mol×K | 835.25 | Joback Calculated Property |
| η | [0.0000858; 0.0030583] | Pa×s | [334.95; 669.66] |
|
| η | 0.0030583 | Pa×s | 334.95 | Joback Calculated Property |
| η | 0.0011019 | Pa×s | 390.74 | Joback Calculated Property |
| η | 0.0005123 | Pa×s | 446.52 | Joback Calculated Property |
| η | 0.0002824 | Pa×s | 502.30 | Joback Calculated Property |
| η | 0.0001753 | Pa×s | 558.09 | Joback Calculated Property |
| η | 0.0001187 | Pa×s | 613.88 | Joback Calculated Property |
| η | 0.0000858 | Pa×s | 669.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, tridecyl ester.
Sources
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