- InChI
- InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3
- InChI Key
- IGFHQQFPSIBGKE-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
- CCCCCCCCCc1ccc(O)cc1
- Molecular Weight1
- 220.35
- CAS
- 104-40-5
- Other Names
-
- 4-n-Nonyl phenol
- 4-n-Nonylphenol
- Phenol, 4-nonyl-
- Phenol, p-nonyl-
- p-Nonylphenol
- para Nonyl phenol
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- I : 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 | 0.8095 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.685 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Pc | 2108.07 | kPa | Joback Calculated Property |
| Inp | [1871.80; 1889.00] |
|
|
| Inp | 1871.80 | NIST | |
| Inp | 1876.70 | NIST | |
| Inp | 1883.40 | NIST | |
| Inp | 1889.00 | NIST | |
| Inp | 1877.00 | NIST | |
| Inp | 1871.80 | NIST | |
| I | 2900.00 | NIST | |
| Tboil | 597.95 | K | Relay (1.0) Calculated Property |
| Tc | 796.20 | K | Relay (1.0) Calculated Property |
| Tfus | 316.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.760 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 65.00 | kJ/mol | 541.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.32; 697.09] | 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 | -5.35720e+01 | |||
| Coefficient B | 1.50452e+00 | |||
| Coefficient C | -1.07976e-03 | |||
| Coefficient D | 3.25900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 283.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 357.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 423.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 479.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 528.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 571.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 608.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 640.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 670.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 697.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012797; 0.0000351] | Pa×s | [396.95; 596.36] |
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 | -1.74158e+01 | |||
| Coefficient B | 4.26904e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 396.95 | |||
| Temperature range, max. | 596.36 | |||
| η | 0.0012797 | Pa×s | 396.95 | Calculated Property |
| η | 0.0007247 | Pa×s | 419.11 | Calculated Property |
| η | 0.0004346 | Pa×s | 441.26 | Calculated Property |
| η | 0.0002736 | Pa×s | 463.42 | Calculated Property |
| η | 0.0001797 | Pa×s | 485.58 | Calculated Property |
| η | 0.0001225 | Pa×s | 507.74 | Calculated Property |
| η | 0.0000862 | Pa×s | 529.89 | Calculated Property |
| η | 0.0000624 | Pa×s | 552.05 | Calculated Property |
| η | 0.0000463 | Pa×s | 574.21 | Calculated Property |
| η | 0.0000351 | Pa×s | 596.36 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nonylphenol.
Sources
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