- 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° | 116.72 | 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 | 832.86 | K | Relay (1.0) Calculated Property |
| Tfus | 326.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.984 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.17; 903.45] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.72080e+01 | |||
| Coefficient B | 1.88452e+00 | |||
| Coefficient C | -1.29736e-03 | |||
| Coefficient D | 3.73500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 368.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 463.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 547.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 620.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 684.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 739.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 788.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 830.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 868.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 903.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005671; 0.0000186] | Pa×s | [442.03; 655.13] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.79849e+01 | |||
| Coefficient B | 4.64568e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 442.03 | |||
| Temperature range, max. | 655.13 | |||
| η | 0.0005671 | Pa×s | 442.03 | Calculated Property |
| η | 0.0003323 | Pa×s | 465.71 | Calculated Property |
| η | 0.0002051 | Pa×s | 489.39 | Calculated Property |
| η | 0.0001323 | Pa×s | 513.06 | Calculated Property |
| η | 0.0000888 | Pa×s | 536.74 | Calculated Property |
| η | 0.0000616 | Pa×s | 560.42 | Calculated Property |
| η | 0.0000440 | Pa×s | 584.10 | Calculated Property |
| η | 0.0000323 | Pa×s | 607.78 | Calculated Property |
| η | 0.0000242 | Pa×s | 631.46 | Calculated Property |
| η | 0.0000186 | Pa×s | 655.13 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Tridecylphenol.
Sources
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