- InChI
- InChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3
- InChI Key
- PZSJOBKRSVRODF-UHFFFAOYSA-N
- Formula
- C10H10O4
- SMILES
- COc1cc(C=O)ccc1OC(C)=O
- Molecular Weight1
- 194.18
- CAS
- 881-68-5
- Other Names
-
- Benzaldehyde, 4-(acetyloxy)-3-methoxy-
- Acetovanillin
- Acetylvanillin
- O-Acetylvanillin
- 4-Acetoxy-3-methoxybenzaldehyde
- 4-O-Acetylvanillin
- 4-Formyl-2-methoxyphenol acetate
- 4-Formyl-2-methoxyphenyl acetate
- Benzaldehyde, 4-acetoxy-3-methoxy
- 4-(Acetyloxy)-3-methoxybenzaldehyde
- NSC 25863
- NSC 8499
- 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° | -311.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -498.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.74 | kJ/mol | Joback Calculated Property |
| log10WS | -2.15 | Crippen Calculated Property | |
| logPoct/wat | 1.433 | Crippen Calculated Property | |
| McVol | 142.880 | ml/mol | McGowan Calculated Property |
| Pc | 3177.55 | kPa | Joback Calculated Property |
| Inp | [258.80; 1540.80] |
|
|
| Inp | 1512.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1540.80 | NIST | |
| Inp | 258.80 | NIST | |
| Inp | 1512.00 | NIST | |
| Tboil | 612.21 | K | Joback Calculated Property |
| Tc | 827.41 | K | Joback Calculated Property |
| Tfus | 390.31 | K | Joback Calculated Property |
| Vc | 0.546 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.79; 397.65] | J/mol×K | [612.21; 827.41] |
|
| Cp,gas | 338.79 | J/mol×K | 612.21 | Joback Calculated Property |
| Cp,gas | 350.19 | J/mol×K | 648.08 | Joback Calculated Property |
| Cp,gas | 360.97 | J/mol×K | 683.94 | Joback Calculated Property |
| Cp,gas | 371.12 | J/mol×K | 719.81 | Joback Calculated Property |
| Cp,gas | 380.62 | J/mol×K | 755.68 | Joback Calculated Property |
| Cp,gas | 389.47 | J/mol×K | 791.54 | Joback Calculated Property |
| Cp,gas | 397.65 | J/mol×K | 827.41 | Joback Calculated Property |
| η | [0.0001978; 0.0011188] | Pa×s | [390.31; 612.21] |
|
| η | 0.0011188 | Pa×s | 390.31 | Joback Calculated Property |
| η | 0.0007397 | Pa×s | 427.29 | Joback Calculated Property |
| η | 0.0005224 | Pa×s | 464.28 | Joback Calculated Property |
| η | 0.0003883 | Pa×s | 501.26 | Joback Calculated Property |
| η | 0.0003007 | Pa×s | 538.24 | Joback Calculated Property |
| η | 0.0002406 | Pa×s | 575.23 | Joback Calculated Property |
| η | 0.0001978 | Pa×s | 612.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Vanillin, acetate.
Sources
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