- InChI
- InChI=1S/C19H32O/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16-19(20)17-18/h13,15-17,20H,2-12,14H2,1H3
- InChI Key
- IFGRPNIAGKTMCH-UHFFFAOYSA-N
- Formula
- C19H32O
- SMILES
- CCCCCCCCCCCCCc1cccc(O)c1
- Molecular Weight1
- 276.46
- 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 | 0.9499 | Relay (1.0) Calculated Property | |
| ΔfG° | 66.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.246 | Crippen Calculated Property | |
| McVol | 260.680 | ml/mol | McGowan Calculated Property |
| Pc | 1523.50 | kPa | Joback Calculated Property |
| Inp | [2286.10; 2294.00] |
|
|
| Inp | 2286.10 | NIST | |
| Inp | 2294.00 | NIST | |
| Inp | 2286.10 | NIST | |
| Inp | 2294.00 | NIST | |
| Tboil | 619.85 | K | Relay (1.0) Calculated Property |
| Tc | 831.95 | K | Relay (1.0) Calculated Property |
| Tfus | 332.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.984 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.07; 876.22] | J/mol×K | [741.42; 935.65] |
|
| Cp,gas | 779.07 | J/mol×K | 741.42 | Joback Calculated Property |
| Cp,gas | 797.27 | J/mol×K | 773.79 | Joback Calculated Property |
| Cp,gas | 814.56 | J/mol×K | 806.16 | Joback Calculated Property |
| Cp,gas | 831.02 | J/mol×K | 838.54 | Joback Calculated Property |
| Cp,gas | 846.74 | J/mol×K | 870.91 | Joback Calculated Property |
| Cp,gas | 861.78 | J/mol×K | 903.28 | Joback Calculated Property |
| Cp,gas | 876.22 | J/mol×K | 935.65 | Joback Calculated Property |
| η | [0.0000081; 0.0005671] | Pa×s | [442.03; 741.42] |
|
| η | 0.0005671 | Pa×s | 442.03 | Joback Calculated Property |
| η | 0.0001953 | Pa×s | 491.93 | Joback Calculated Property |
| η | 0.0000818 | Pa×s | 541.83 | Joback Calculated Property |
| η | 0.0000397 | Pa×s | 591.73 | Joback Calculated Property |
| η | 0.0000216 | Pa×s | 641.62 | Joback Calculated Property |
| η | 0.0000128 | Pa×s | 691.52 | Joback Calculated Property |
| η | 0.0000081 | Pa×s | 741.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Tridecylphenol.
Sources
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