- InChI
- InChI=1S/C10H14O/c1-2-3-6-9-7-4-5-8-10(9)11/h4-5,7-8,11H,2-3,6H2,1H3
- InChI Key
- GJYCVCVHRSWLNY-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- CCCCc1ccccc1O
- Molecular Weight1
- 150.22
- CAS
- 3180-09-4
- Other Names
-
- 1-Hydroxy-2-n-butylbenzene
- 2-Butylphenol
- 2-n-Butylphenol
- Phenol, o-butyl-
- UN 2228
- UN 2229
- o-Butylphenol
- 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).
- Pvap : Vapor pressure (kPa).
- 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 | 0.5839 | Relay (1.0) Calculated Property | |
| ΔfG° | -8.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -180.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.735 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3468.36 | kPa | Joback Calculated Property |
| Tboil | 507.59 | K | Relay (1.0) Calculated Property |
| Tc | 724.30 | K | Relay (1.0) Calculated Property |
| Tfus | 253.15 ± 2.00 | K | NIST |
| Vc | 0.477 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.56; 382.17] | J/mol×K | [535.50; 753.87] | 
|
| Cp,gas | 311.56 | J/mol×K | 535.50 | Joback Calculated Property |
| Cp,gas | 325.39 | J/mol×K | 571.90 | Joback Calculated Property |
| Cp,gas | 338.30 | J/mol×K | 608.29 | Joback Calculated Property |
| Cp,gas | 350.35 | J/mol×K | 644.69 | Joback Calculated Property |
| Cp,gas | 361.63 | J/mol×K | 681.08 | Joback Calculated Property |
| Cp,gas | 372.21 | J/mol×K | 717.48 | Joback Calculated Property |
| Cp,gas | 382.17 | J/mol×K | 753.87 | Joback Calculated Property |
| η | [0.0000606; 0.0035095] | Pa×s | [340.60; 535.50] |
|
| η | 0.0035095 | Pa×s | 340.60 | Joback Calculated Property |
| η | 0.0013291 | Pa×s | 373.08 | Joback Calculated Property |
| η | 0.0005881 | Pa×s | 405.57 | Joback Calculated Property |
| η | 0.0002937 | Pa×s | 438.05 | Joback Calculated Property |
| η | 0.0001614 | Pa×s | 470.53 | Joback Calculated Property |
| η | 0.0000958 | Pa×s | 503.02 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 535.50 | Joback Calculated Property |
| ΔvapH | [47.00; 55.10] | kJ/mol | [451.00; 468.00] |
|
| ΔvapH | 52.90 | kJ/mol | 451.00 | NIST |
| ΔvapH | 51.00 | kJ/mol | 451.00 | NIST |
| ΔvapH | 47.00 | kJ/mol | 451.00 | NIST |
| ΔvapH | 55.10 | kJ/mol | 468.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [386.52; 533.10] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57341e+01 | |||
| Coefficient B | -4.69734e+03 | |||
| Coefficient C | -8.24160e+01 | |||
| Temperature range, min. | 386.52 | |||
| Temperature range, max. | 533.10 | |||
| Pvap | 1.33 | kPa | 386.52 | Calculated Property |
| Pvap | 2.92 | kPa | 402.81 | Calculated Property |
| Pvap | 5.94 | kPa | 419.09 | Calculated Property |
| Pvap | 11.31 | kPa | 435.38 | Calculated Property |
| Pvap | 20.34 | kPa | 451.67 | Calculated Property |
| Pvap | 34.82 | kPa | 467.95 | Calculated Property |
| Pvap | 57.06 | kPa | 484.24 | Calculated Property |
| Pvap | 89.96 | kPa | 500.53 | Calculated Property |
| Pvap | 137.09 | kPa | 516.81 | Calculated Property |
| Pvap | 202.63 | kPa | 533.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-butyl-.
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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