- InChI
- InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
- InChI Key
- JVTZFYYHCGSXJV-UHFFFAOYSA-N
- Formula
- C8H8O3
- SMILES
- COc1ccc(C=O)cc1O
- Molecular Weight1
- 152.15
- CAS
- 621-59-0
- Other Names
-
- p-Anisaldehyde, 3-hydroxy-
- Isovanillin
- 3-Hydroxy-p-anisaldehyde
- 3-Hydroxy-4-methoxybenzaldehyde
- 5-Formylguaiacol
- 3-Hydroxy-para-anisaldehyde
- 3-Hydroxyanisaldehyde
- Isovanilline
- Oxy-3 methoxy-4 benzaldehyde
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔcH°solid | -3838.00 ± 5.90 | kJ/mol | NIST |
| ΔfG° | -239.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -378.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.48 | kJ/mol | Joback Calculated Property |
| log10WS | -1.38 | Crippen Calculated Property | |
| logPoct/wat | 1.213 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Pc | 4665.71 | kPa | Joback Calculated Property |
| Inp | [1401.00; 1468.60] |
|
|
| Inp | 1468.60 | NIST | |
| Inp | 1401.00 | NIST | |
| Tboil | 565.80 | K | Joback Calculated Property |
| Tc | 793.56 | K | Joback Calculated Property |
| Tfus | 394.81 | K | Joback Calculated Property |
| Vc | 0.377 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.74; 309.32] | J/mol×K | [565.80; 793.56] |
|
| Cp,gas | 259.74 | J/mol×K | 565.80 | Joback Calculated Property |
| Cp,gas | 269.43 | J/mol×K | 603.76 | Joback Calculated Property |
| Cp,gas | 278.48 | J/mol×K | 641.72 | Joback Calculated Property |
| Cp,gas | 286.94 | J/mol×K | 679.68 | Joback Calculated Property |
| Cp,gas | 294.87 | J/mol×K | 717.64 | Joback Calculated Property |
| Cp,gas | 302.31 | J/mol×K | 755.60 | Joback Calculated Property |
| Cp,gas | 309.32 | J/mol×K | 793.56 | Joback Calculated Property |
| η | [0.0000536; 0.0010401] | Pa×s | [394.81; 565.80] |
|
| η | 0.0010401 | Pa×s | 394.81 | Joback Calculated Property |
| η | 0.0005373 | Pa×s | 423.31 | Joback Calculated Property |
| η | 0.0003017 | Pa×s | 451.81 | Joback Calculated Property |
| η | 0.0001814 | Pa×s | 480.30 | Joback Calculated Property |
| η | 0.0001155 | Pa×s | 508.80 | Joback Calculated Property |
| η | 0.0000771 | Pa×s | 537.30 | Joback Calculated Property |
| η | 0.0000536 | Pa×s | 565.80 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 452.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Benzaldehyde, 3-hydroxy-4-methoxy-.
Sources
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