- InChI
- InChI=1S/C14H22O/c1-3-5-7-12-9-10-14(15)13(11-12)8-6-4-2/h9-11,15H,3-8H2,1-2H3
- InChI Key
- KPZBEZVZFBDKCG-UHFFFAOYSA-N
- Formula
- C14H22O
- SMILES
- CCCCc1ccc(O)c(CCCC)c1
- Molecular Weight1
- 206.32
- 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 | 0.7402 | Relay (1.0) Calculated Property | |
| ΔfG° | 15.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -269.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.077 | Crippen Calculated Property | |
| McVol | 190.230 | ml/mol | McGowan Calculated Property |
| Pc | 2274.07 | kPa | Joback Calculated Property |
| Inp | [1491.00; 1491.00] |
|
|
| Inp | 1491.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Tboil | 566.74 | K | Relay (1.0) Calculated Property |
| Tc | 776.73 | K | Relay (1.0) Calculated Property |
| Tfus | 289.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.701 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.66; 642.46] | 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 | -3.83640e+01 | |||
| Coefficient B | 1.35004e+00 | |||
| Coefficient C | -9.58320e-04 | |||
| Coefficient D | 2.89100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 264.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 332.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 391.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 442.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 487.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 526.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 560.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 590.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 617.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 642.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010778; 0.0000388] | Pa×s | [398.20; 586.45] |
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 | -1.71885e+01 | |||
| Coefficient B | 4.12362e+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. | 398.20 | |||
| Temperature range, max. | 586.45 | |||
| η | 0.0010778 | Pa×s | 398.20 | Calculated Property |
| η | 0.0006428 | Pa×s | 419.12 | Calculated Property |
| η | 0.0004027 | Pa×s | 440.03 | Calculated Property |
| η | 0.0002632 | Pa×s | 460.95 | Calculated Property |
| η | 0.0001785 | Pa×s | 481.87 | Calculated Property |
| η | 0.0001250 | Pa×s | 502.78 | Calculated Property |
| η | 0.0000901 | Pa×s | 523.70 | Calculated Property |
| η | 0.0000666 | Pa×s | 544.62 | Calculated Property |
| η | 0.0000503 | Pa×s | 565.53 | Calculated Property |
| η | 0.0000388 | Pa×s | 586.45 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dibutylphenol.
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