- InChI
- InChI=1S/C14H26O2/c1-2-3-4-7-12-16-14(15)11-10-13-8-5-6-9-13/h13H,2-12H2,1H3
- InChI Key
- KGSNANUYCZAHJK-UHFFFAOYSA-N
- Formula
- C14H26O2
- SMILES
- CCCCCCOC(=O)CCC1CCCC1
- Molecular Weight1
- 226.35
- 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).
- Inp : Non-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 | 0.6667 | Relay (1.0) Calculated Property | |
| ΔfG° | -206.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -609.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.080 | Crippen Calculated Property | |
| McVol | 204.700 | ml/mol | McGowan Calculated Property |
| Pc | 1769.87 | kPa | Joback Calculated Property |
| Inp | [1664.80; 1664.80] |
|
|
| Inp | 1664.80 | NIST | |
| Inp | 1664.80 | NIST | |
| Tboil | 558.80 | K | Relay (1.0) Calculated Property |
| Tc | 754.68 | K | Relay (1.0) Calculated Property |
| Tfus | 221.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.763 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.67; 651.82] | J/mol×K | [593.42; 779.58] |
|
| Cp,gas | 549.67 | J/mol×K | 593.42 | Joback Calculated Property |
| Cp,gas | 569.08 | J/mol×K | 624.45 | Joback Calculated Property |
| Cp,gas | 587.50 | J/mol×K | 655.47 | Joback Calculated Property |
| Cp,gas | 604.96 | J/mol×K | 686.50 | Joback Calculated Property |
| Cp,gas | 621.48 | J/mol×K | 717.53 | Joback Calculated Property |
| Cp,gas | 637.09 | J/mol×K | 748.55 | Joback Calculated Property |
| Cp,gas | 651.82 | J/mol×K | 779.58 | Joback Calculated Property |
| η | [0.0001940; 0.0045879] | Pa×s | [300.77; 593.42] |
|
| η | 0.0045879 | Pa×s | 300.77 | Joback Calculated Property |
| η | 0.0018745 | Pa×s | 349.54 | Joback Calculated Property |
| η | 0.0009536 | Pa×s | 398.32 | Joback Calculated Property |
| η | 0.0005622 | Pa×s | 447.09 | Joback Calculated Property |
| η | 0.0003677 | Pa×s | 495.87 | Joback Calculated Property |
| η | 0.0002595 | Pa×s | 544.64 | Joback Calculated Property |
| η | 0.0001940 | Pa×s | 593.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, hexyl ester.
Sources
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