- InChI
- InChI=1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3
- InChI Key
- KNDDEFBFJLKPFE-UHFFFAOYSA-N
- Formula
- C13H20O
- SMILES
- CCCCCCCc1ccc(O)cc1
- Molecular Weight1
- 192.30
- CAS
- 1987-50-4
- Other Names
-
- 4-heptylphenol
- 4-n-Heptylphenol
- p-Heptylphenol
- p-n-Heptylphenol
- 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).
- Pvap : Vapor 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 | 0.7327 | Relay (1.0) Calculated Property | |
| ΔfG° | 16.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -233.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.905 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2535.37 | kPa | Joback Calculated Property |
| Inp | [1665.50; 1678.00] |
|
|
| Inp | 1665.50 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | 1673.80 | NIST | |
| Inp | 1678.00 | NIST | |
| Inp | 1665.50 | NIST | |
| I | 2679.00 | NIST | |
| Tboil | 574.59 | K | Relay (1.0) Calculated Property |
| Tc | 773.78 | K | Relay (1.0) Calculated Property |
| Tfus | 297.15 ± 2.00 | K | NIST |
| Vc | 0.647 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [454.63; 537.14] | J/mol×K | [604.14; 811.88] |
|
| Cp,gas | 454.63 | J/mol×K | 604.14 | Joback Calculated Property |
| Cp,gas | 470.48 | J/mol×K | 638.76 | Joback Calculated Property |
| Cp,gas | 485.39 | J/mol×K | 673.39 | Joback Calculated Property |
| Cp,gas | 499.44 | J/mol×K | 708.01 | Joback Calculated Property |
| Cp,gas | 512.69 | J/mol×K | 742.64 | Joback Calculated Property |
| Cp,gas | 525.24 | J/mol×K | 777.26 | Joback Calculated Property |
| Cp,gas | 537.14 | J/mol×K | 811.88 | Joback Calculated Property |
| η | [0.0000305; 0.0019211] | Pa×s | [374.41; 604.14] |
|
| η | 0.0019211 | Pa×s | 374.41 | Joback Calculated Property |
| η | 0.0006989 | Pa×s | 412.70 | Joback Calculated Property |
| η | 0.0003019 | Pa×s | 450.99 | Joback Calculated Property |
| η | 0.0001487 | Pa×s | 489.27 | Joback Calculated Property |
| η | 0.0000812 | Pa×s | 527.56 | Joback Calculated Property |
| η | 0.0000481 | Pa×s | 565.85 | Joback Calculated Property |
| η | 0.0000305 | Pa×s | 604.14 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [408.00; 577.88] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47195e+01 | |||
| Coefficient B | -4.59108e+03 | |||
| Coefficient C | -8.98800e+01 | |||
| Temperature range, min. | 408.00 | |||
| Temperature range, max. | 577.88 | |||
| Pvap | 1.33 | kPa | 408.00 | Calculated Property |
| Pvap | 2.99 | kPa | 426.88 | Calculated Property |
| Pvap | 6.16 | kPa | 445.75 | Calculated Property |
| Pvap | 11.80 | kPa | 464.63 | Calculated Property |
| Pvap | 21.24 | kPa | 483.50 | Calculated Property |
| Pvap | 36.22 | kPa | 502.38 | Calculated Property |
| Pvap | 58.94 | kPa | 521.25 | Calculated Property |
| Pvap | 92.09 | kPa | 540.13 | Calculated Property |
| Pvap | 138.80 | kPa | 559.00 | Calculated Property |
| Pvap | 202.67 | kPa | 577.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-heptyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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