- InChI
- InChI=1S/C15H22O4/c1-3-4-5-6-7-10-19-15(17)12-8-9-13(16)14(11-12)18-2/h8-9,11,16H,3-7,10H2,1-2H3
- InChI Key
- DAJVWKLCZJELSB-UHFFFAOYSA-N
- Formula
- C15H22O4
- SMILES
- CCCCCCCOC(=O)c1ccc(O)c(OC)c1
- Molecular Weight1
- 266.33
- CAS
- 84375-72-4
- 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 | 0.9283 | Relay (... Calculated Property | |
| ΔfG° | -315.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -733.85 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.41 | kJ/mol | Relay (... Calculated Property |
| IE | 8.41 | eV | Relay (... Calculated Property |
| log10WS | -4.23 | Relay (... Calculated Property | |
| logPoct/wat | 3.528 | Crippen Calculated Property | |
| McVol | 217.630 | ml/mol | McGowan Calculated Property |
| Pc | 2135.43 | kPa | Joback Calculated Property |
| Tboil | 599.76 | K | Relay (... Calculated Property |
| Tc | 821.77 | K | Relay (... Calculated Property |
| Tfus | 342.65 | K | Relay (... Calculated Property |
| Vc | 0.806 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [631.31; 707.87] | J/mol×K | [753.59; 959.75] | 
|
| Cp,gas | 631.31 | J/mol×K | 753.59 | Joback Calculated Property |
| Cp,gas | 645.94 | J/mol×K | 787.95 | Joback Calculated Property |
| Cp,gas | 659.76 | J/mol×K | 822.31 | Joback Calculated Property |
| Cp,gas | 672.81 | J/mol×K | 856.67 | Joback Calculated Property |
| Cp,gas | 685.16 | J/mol×K | 891.03 | Joback Calculated Property |
| Cp,gas | 696.83 | J/mol×K | 925.39 | Joback Calculated Property |
| Cp,gas | 707.87 | J/mol×K | 959.75 | Joback Calculated Property |
| η | [0.0000074; 0.0001648] | Pa×s | [503.86; 753.59] |
|
| η | 0.0001648 | Pa×s | 503.86 | Joback Calculated Property |
| η | 0.0000808 | Pa×s | 545.48 | Joback Calculated Property |
| η | 0.0000438 | Pa×s | 587.10 | Joback Calculated Property |
| η | 0.0000258 | Pa×s | 628.73 | Joback Calculated Property |
| η | 0.0000162 | Pa×s | 670.35 | Joback Calculated Property |
| η | 0.0000107 | Pa×s | 711.97 | Joback Calculated Property |
| η | 0.0000074 | Pa×s | 753.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Vanillic acid, heptyl ester.
Sources
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