- InChI
- InChI=1S/C17H34O2/c1-3-5-7-8-9-10-11-12-13-14-16-19-17(18)15-6-4-2/h3-16H2,1-2H3
- InChI Key
- GPRNNOKYGIISIE-UHFFFAOYSA-N
- Formula
- C17H34O2
- SMILES
- CCCCCCCCCCCCOC(=O)CCCC
- Molecular Weight1
- 270.45
- CAS
- 81186-22-3
- 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).
- I : 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 | 0.8708 | Relay (1.0) Calculated Property | |
| ΔfG° | -218.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -712.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.641 | Crippen Calculated Property | |
| McVol | 257.830 | ml/mol | McGowan Calculated Property |
| Pc | 1235.48 | kPa | Joback Calculated Property |
| I | 2834.00 | NIST | |
| Tboil | 569.76 | K | Relay (1.0) Calculated Property |
| Tc | 751.05 | K | Relay (1.0) Calculated Property |
| Tfus | 265.89 | K | Relay (1.0) Calculated Property |
| Vc | 1.014 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.35; 822.77] | J/mol×K | [646.78; 811.77] | 
|
| Cp,gas | 723.35 | J/mol×K | 646.78 | Joback Calculated Property |
| Cp,gas | 741.89 | J/mol×K | 674.28 | Joback Calculated Property |
| Cp,gas | 759.62 | J/mol×K | 701.78 | Joback Calculated Property |
| Cp,gas | 776.55 | J/mol×K | 729.27 | Joback Calculated Property |
| Cp,gas | 792.71 | J/mol×K | 756.77 | Joback Calculated Property |
| Cp,gas | 808.11 | J/mol×K | 784.27 | Joback Calculated Property |
| Cp,gas | 822.77 | J/mol×K | 811.77 | Joback Calculated Property |
| η | [0.0000976; 0.0034020] | Pa×s | [323.68; 646.78] |
|
| η | 0.0034020 | Pa×s | 323.68 | Joback Calculated Property |
| η | 0.0012342 | Pa×s | 377.53 | Joback Calculated Property |
| η | 0.0005767 | Pa×s | 431.38 | Joback Calculated Property |
| η | 0.0003191 | Pa×s | 485.23 | Joback Calculated Property |
| η | 0.0001987 | Pa×s | 539.08 | Joback Calculated Property |
| η | 0.0001348 | Pa×s | 592.93 | Joback Calculated Property |
| η | 0.0000976 | Pa×s | 646.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, dodecyl ester.
Sources
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