- InChI
- InChI=1S/C16H22O3/c1-4-5-6-7-8-13(2)19-16(17)14-9-11-15(18-3)12-10-14/h7-13H,4-6H2,1-3H3/b8-7+
- InChI Key
- NWEOELGGVACLOI-BQYQJAHWSA-N
- Formula
- C16H22O3
- SMILES
- CCCCC=CC(C)OC(=O)c1ccc(OC)cc1
- Molecular Weight1
- 262.34
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -74.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -413.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.28 | kJ/mol | Joback Calculated Property |
| log10WS | -4.73 | Crippen Calculated Property | |
| logPoct/wat | 3.987 | Crippen Calculated Property | |
| McVol | 221.550 | ml/mol | McGowan Calculated Property |
| Pc | 1812.32 | kPa | Joback Calculated Property |
| Inp | [1946.00; 1946.00] |
|
|
| Inp | 1946.00 | NIST | |
| Inp | 1946.00 | NIST | |
| Tboil | 699.57 | K | Joback Calculated Property |
| Tc | 904.52 | K | Joback Calculated Property |
| Tfus | 383.33 | K | Joback Calculated Property |
| Vc | 0.840 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [606.00; 690.57] | J/mol×K | [699.57; 904.52] |
|
| Cp,gas | 606.00 | J/mol×K | 699.57 | Joback Calculated Property |
| Cp,gas | 622.45 | J/mol×K | 733.73 | Joback Calculated Property |
| Cp,gas | 637.93 | J/mol×K | 767.89 | Joback Calculated Property |
| Cp,gas | 652.45 | J/mol×K | 802.04 | Joback Calculated Property |
| Cp,gas | 666.05 | J/mol×K | 836.20 | Joback Calculated Property |
| Cp,gas | 678.75 | J/mol×K | 870.36 | Joback Calculated Property |
| Cp,gas | 690.57 | J/mol×K | 904.52 | Joback Calculated Property |
| η | [0.0000751; 0.0011364] | Pa×s | [383.33; 699.57] |
|
| η | 0.0011364 | Pa×s | 383.33 | Joback Calculated Property |
| η | 0.0005496 | Pa×s | 436.04 | Joback Calculated Property |
| η | 0.0003109 | Pa×s | 488.74 | Joback Calculated Property |
| η | 0.0001965 | Pa×s | 541.45 | Joback Calculated Property |
| η | 0.0001347 | Pa×s | 594.16 | Joback Calculated Property |
| η | 0.0000982 | Pa×s | 646.86 | Joback Calculated Property |
| η | 0.0000751 | Pa×s | 699.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Anisic acid, oct-3-en-2-yl ester.
Sources
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