- InChI
- InChI=1S/C14H14O4/c1-9(15)18-12-8-10-6-4-5-7-11(10)13(16-2)14(12)17-3/h4-8H,1-3H3
- InChI Key
- XTBBSNLXDNRMQB-UHFFFAOYSA-N
- Formula
- C14H14O4
- SMILES
- COc1c(OC(C)=O)cc2ccccc2c1OC
- Molecular Weight1
- 246.26
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7112 | Relay (1.0) Calculated Property | |
| ΔfG° | -186.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.782 | Crippen Calculated Property | |
| McVol | 184.080 | ml/mol | McGowan Calculated Property |
| Pc | 2453.17 | kPa | Joback Calculated Property |
| Inp | 2219.00 | NIST | |
| Tboil | 621.93 | K | Relay (1.0) Calculated Property |
| Tc | 869.41 | K | Relay (1.0) Calculated Property |
| Tfus | 362.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.680 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.57; 551.26] | J/mol×K | [701.45; 923.52] | 
|
| Cp,gas | 482.57 | J/mol×K | 701.45 | Joback Calculated Property |
| Cp,gas | 496.21 | J/mol×K | 738.46 | Joback Calculated Property |
| Cp,gas | 508.97 | J/mol×K | 775.47 | Joback Calculated Property |
| Cp,gas | 520.85 | J/mol×K | 812.48 | Joback Calculated Property |
| Cp,gas | 531.85 | J/mol×K | 849.49 | Joback Calculated Property |
| Cp,gas | 541.99 | J/mol×K | 886.51 | Joback Calculated Property |
| Cp,gas | 551.26 | J/mol×K | 923.52 | Joback Calculated Property |
| η | [0.0001647; 0.0006398] | Pa×s | [460.84; 701.45] |
|
| η | 0.0006398 | Pa×s | 460.84 | Joback Calculated Property |
| η | 0.0004661 | Pa×s | 500.94 | Joback Calculated Property |
| η | 0.0003559 | Pa×s | 541.04 | Joback Calculated Property |
| η | 0.0002821 | Pa×s | 581.14 | Joback Calculated Property |
| η | 0.0002304 | Pa×s | 621.25 | Joback Calculated Property |
| η | 0.0001928 | Pa×s | 661.35 | Joback Calculated Property |
| η | 0.0001647 | Pa×s | 701.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Dimethoxy-3-acetoacetylnaphthalene.
Sources
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