- InChI
- InChI=1S/C13H14O3/c1-14-11-8-12(15-2)13(16-3)10-7-5-4-6-9(10)11/h4-8H,1-3H3
- InChI Key
- WYZRFRHDHZZWIH-UHFFFAOYSA-N
- Formula
- C13H14O3
- SMILES
- COc1cc(OC)c2ccccc2c1OC
- Molecular Weight1
- 218.25
- 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 | 0.6325 | Relay (... Calculated Property | |
| ΔfG° | -66.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.57 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.11 | kJ/mol | Relay (... Calculated Property |
| IE | 7.60 | eV | Relay (... Calculated Property |
| log10WS | -3.38 | Relay (... Calculated Property | |
| logPoct/wat | 2.866 | Crippen Calculated Property | |
| McVol | 168.420 | ml/mol | McGowan Calculated Property |
| Pc | 2535.37 | kPa | Joback Calculated Property |
| Inp | [1752.00; 1752.00] |
|
|
| Inp | 1752.00 | NIST | |
| Inp | 1752.00 | NIST | |
| Tboil | 603.08 | K | Relay (... Calculated Property |
| Tc | 842.17 | K | Relay (... Calculated Property |
| Tfus | 365.17 | K | Relay (... Calculated Property |
| Vc | 0.629 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.38; 491.07] | J/mol×K | [624.70; 844.29] |
|
| Cp,gas | 416.38 | J/mol×K | 624.70 | Joback Calculated Property |
| Cp,gas | 430.79 | J/mol×K | 661.30 | Joback Calculated Property |
| Cp,gas | 444.42 | J/mol×K | 697.90 | Joback Calculated Property |
| Cp,gas | 457.25 | J/mol×K | 734.50 | Joback Calculated Property |
| Cp,gas | 469.31 | J/mol×K | 771.09 | Joback Calculated Property |
| Cp,gas | 480.58 | J/mol×K | 807.69 | Joback Calculated Property |
| Cp,gas | 491.07 | J/mol×K | 844.29 | Joback Calculated Property |
| η | [0.0001653; 0.0006293] | Pa×s | [399.64; 624.70] |
|
| η | 0.0006293 | Pa×s | 399.64 | Joback Calculated Property |
| η | 0.0004577 | Pa×s | 437.15 | Joback Calculated Property |
| η | 0.0003501 | Pa×s | 474.66 | Joback Calculated Property |
| η | 0.0002785 | Pa×s | 512.17 | Joback Calculated Property |
| η | 0.0002286 | Pa×s | 549.68 | Joback Calculated Property |
| η | 0.0001924 | Pa×s | 587.19 | Joback Calculated Property |
| η | 0.0001653 | Pa×s | 624.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4-trimethoxy-naphthalene.
Sources
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