- InChI
- InChI=1S/C12H16O4/c1-3-4-7-16-12(14)9-5-6-10(13)11(8-9)15-2/h5-6,8,13H,3-4,7H2,1-2H3
- InChI Key
- TUOSEEPBHUCCAO-UHFFFAOYSA-N
- Formula
- C12H16O4
- SMILES
- CCCCOC(=O)c1ccc(O)c(OC)c1
- Molecular Weight1
- 224.25
- CAS
- 5348-74-3
- Other Names
-
- butyl vanillate
- 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).
- 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° | -340.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -620.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.82 | kJ/mol | Joback Calculated Property |
| log10WS | -2.64 | Crippen Calculated Property | |
| logPoct/wat | 2.358 | Crippen Calculated Property | |
| McVol | 175.360 | ml/mol | McGowan Calculated Property |
| Pc | 2841.41 | kPa | Joback Calculated Property |
| Tboil | 684.95 | K | Joback Calculated Property |
| Tc | 899.10 | K | Joback Calculated Property |
| Tfus | 470.05 | K | Joback Calculated Property |
| Vc | 0.608 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [472.12; 540.42] | J/mol×K | [684.95; 899.10] | 
|
| Cp,gas | 472.12 | J/mol×K | 684.95 | Joback Calculated Property |
| Cp,gas | 485.23 | J/mol×K | 720.64 | Joback Calculated Property |
| Cp,gas | 497.60 | J/mol×K | 756.33 | Joback Calculated Property |
| Cp,gas | 509.26 | J/mol×K | 792.03 | Joback Calculated Property |
| Cp,gas | 520.25 | J/mol×K | 827.72 | Joback Calculated Property |
| Cp,gas | 530.63 | J/mol×K | 863.41 | Joback Calculated Property |
| Cp,gas | 540.42 | J/mol×K | 899.10 | Joback Calculated Property |
| η | [0.0000141; 0.0002706] | Pa×s | [470.05; 684.95] |
|
| η | 0.0002706 | Pa×s | 470.05 | Joback Calculated Property |
| η | 0.0001389 | Pa×s | 505.87 | Joback Calculated Property |
| η | 0.0000779 | Pa×s | 541.68 | Joback Calculated Property |
| η | 0.0000469 | Pa×s | 577.50 | Joback Calculated Property |
| η | 0.0000300 | Pa×s | 613.32 | Joback Calculated Property |
| η | 0.0000201 | Pa×s | 649.13 | Joback Calculated Property |
| η | 0.0000141 | Pa×s | 684.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Vanillic acid, n-butyl ester.
Sources
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