- InChI
- InChI=1S/C18H20O3/c1-2-3-9-18(19)21-17-12-10-16(11-13-17)20-14-15-7-5-4-6-8-15/h4-8,10-13H,2-3,9,14H2,1H3
- InChI Key
- IGPTVJONPUIQKC-UHFFFAOYSA-N
- Formula
- C18H20O3
- SMILES
- CCCCC(=O)Oc1ccc(OCc2ccccc2)cc1
- Molecular Weight1
- 284.35
- 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 | 0.7981 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.361 | Crippen Calculated Property | |
| McVol | 230.270 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Inp | 2295.00 | NIST | |
| Tboil | 637.95 | K | Relay (1.0) Calculated Property |
| Tc | 868.26 | K | Relay (1.0) Calculated Property |
| Tfus | 322.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.849 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [653.48; 731.68] | J/mol×K | [768.29; 991.36] | 
|
| Cp,gas | 653.48 | J/mol×K | 768.29 | Joback Calculated Property |
| Cp,gas | 669.46 | J/mol×K | 805.47 | Joback Calculated Property |
| Cp,gas | 684.22 | J/mol×K | 842.65 | Joback Calculated Property |
| Cp,gas | 697.78 | J/mol×K | 879.82 | Joback Calculated Property |
| Cp,gas | 710.19 | J/mol×K | 917.00 | Joback Calculated Property |
| Cp,gas | 721.48 | J/mol×K | 954.18 | Joback Calculated Property |
| Cp,gas | 731.68 | J/mol×K | 991.36 | Joback Calculated Property |
| η | [0.0000747; 0.0007322] | Pa×s | [452.37; 768.29] |
|
| η | 0.0007322 | Pa×s | 452.37 | Joback Calculated Property |
| η | 0.0004105 | Pa×s | 505.02 | Joback Calculated Property |
| η | 0.0002567 | Pa×s | 557.68 | Joback Calculated Property |
| η | 0.0001741 | Pa×s | 610.33 | Joback Calculated Property |
| η | 0.0001255 | Pa×s | 662.98 | Joback Calculated Property |
| η | 0.0000950 | Pa×s | 715.64 | Joback Calculated Property |
| η | 0.0000747 | Pa×s | 768.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, 4-benzyloxyphenyl ester.
Sources
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