- InChI
- InChI=1S/C12H14O4/c1-14-10-8-12(16-3)11(15-2)7-9(10)5-4-6-13/h4-8H,1-3H3/b5-4+
- InChI Key
- DNAVOCNYHNNEQI-SNAWJCMRSA-N
- Formula
- C12H14O4
- SMILES
- COc1cc(OC)c(OC)cc1C=CC=O
- Molecular Weight1
- 222.24
- 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° | -200.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.48 | kJ/mol | Joback Calculated Property |
| log10WS | -2.35 | Crippen Calculated Property | |
| logPoct/wat | 1.925 | Crippen Calculated Property | |
| McVol | 171.060 | ml/mol | McGowan Calculated Property |
| Pc | 2477.65 | kPa | Joback Calculated Property |
| Inp | [1845.00; 1845.00] |
|
|
| Inp | 1845.00 | NIST | |
| Inp | 1845.00 | NIST | |
| Tboil | 635.66 | K | Joback Calculated Property |
| Tc | 844.11 | K | Joback Calculated Property |
| Tfus | 392.59 | K | Joback Calculated Property |
| Vc | 0.650 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.76; 491.65] | J/mol×K | [635.66; 844.11] |
|
| Cp,gas | 422.76 | J/mol×K | 635.66 | Joback Calculated Property |
| Cp,gas | 435.94 | J/mol×K | 670.40 | Joback Calculated Property |
| Cp,gas | 448.45 | J/mol×K | 705.14 | Joback Calculated Property |
| Cp,gas | 460.29 | J/mol×K | 739.89 | Joback Calculated Property |
| Cp,gas | 471.44 | J/mol×K | 774.63 | Joback Calculated Property |
| Cp,gas | 481.90 | J/mol×K | 809.37 | Joback Calculated Property |
| Cp,gas | 491.65 | J/mol×K | 844.11 | Joback Calculated Property |
| η | [0.0001065; 0.0006485] | Pa×s | [392.59; 635.66] |
|
| η | 0.0006485 | Pa×s | 392.59 | Joback Calculated Property |
| η | 0.0004168 | Pa×s | 433.10 | Joback Calculated Property |
| η | 0.0002890 | Pa×s | 473.61 | Joback Calculated Property |
| η | 0.0002122 | Pa×s | 514.12 | Joback Calculated Property |
| η | 0.0001630 | Pa×s | 554.64 | Joback Calculated Property |
| η | 0.0001298 | Pa×s | 595.15 | Joback Calculated Property |
| η | 0.0001065 | Pa×s | 635.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trimethoxycinnamaldehyde.
Sources
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