- InChI
- InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
- InChI Key
- DKZBBWMURDFHNE-NSCUHMNNSA-N
- Formula
- C10H10O3
- SMILES
- COc1cc(C=CC=O)ccc1O
- Molecular Weight1
- 178.18
- CAS
- 458-36-6
- Other Names
-
- 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-
- 3-Methoxy-4-hydroxycinnamaldehyde
- 4-Hydroxy-3-methoxycinnamaldehyde
- Coniferaldehyde
- Coniferylic aldehyde
- Cinnamaldehyde, 4-hydroxy-3-methoxy-
- CONIFERYL ALDEHYDE-1
- 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl), (E)-
- 3-methoxy-4-hydroxycinnamaldehyde (coniferilic aldehyde)
- 4'-hydroxy-3'-methoxycinnamaldehyde
- 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.
- I : 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° | -142.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.89 | kJ/mol | Joback Calculated Property |
| log10WS | -1.66 | Crippen Calculated Property | |
| logPoct/wat | 1.613 | Crippen Calculated Property | |
| McVol | 137.010 | ml/mol | McGowan Calculated Property |
| Pc | 3886.79 | kPa | Joback Calculated Property |
| Inp | [1672.00; 1751.80] |
|
|
| Inp | 1751.80 | NIST | |
| Inp | 1672.00 | NIST | |
| Inp | 1676.00 | NIST | |
| Inp | 1741.00 | NIST | |
| Inp | 1672.00 | NIST | |
| Inp | 1741.00 | NIST | |
| I | 3038.00 | NIST | |
| Tboil | 615.72 | K | Joback Calculated Property |
| Tc | 844.66 | K | Joback Calculated Property |
| Tfus | 412.27 | K | Joback Calculated Property |
| Vc | 0.469 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.26; 385.04] | J/mol×K | [615.72; 844.66] |
|
| Cp,gas | 329.26 | J/mol×K | 615.72 | Joback Calculated Property |
| Cp,gas | 340.13 | J/mol×K | 653.88 | Joback Calculated Property |
| Cp,gas | 350.26 | J/mol×K | 692.03 | Joback Calculated Property |
| Cp,gas | 359.75 | J/mol×K | 730.19 | Joback Calculated Property |
| Cp,gas | 368.65 | J/mol×K | 768.35 | Joback Calculated Property |
| Cp,gas | 377.06 | J/mol×K | 806.51 | Joback Calculated Property |
| Cp,gas | 385.04 | J/mol×K | 844.66 | Joback Calculated Property |
| η | [0.0000290; 0.0007386] | Pa×s | [412.27; 615.72] |
|
| η | 0.0007386 | Pa×s | 412.27 | Joback Calculated Property |
| η | 0.0003509 | Pa×s | 446.18 | Joback Calculated Property |
| η | 0.0001852 | Pa×s | 480.09 | Joback Calculated Property |
| η | 0.0001063 | Pa×s | 514.00 | Joback Calculated Property |
| η | 0.0000654 | Pa×s | 547.90 | Joback Calculated Property |
| η | 0.0000425 | Pa×s | 581.81 | Joback Calculated Property |
| η | 0.0000290 | Pa×s | 615.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Coniferyl aldehyde.
Sources
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