- InChI
- InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
- InChI Key
- QILSFLSDHQAZET-UHFFFAOYSA-N
- Formula
- C13H12O
- SMILES
- OC(c1ccccc1)c1ccccc1
- Molecular Weight1
- 184.23
- CAS
- 91-01-0
- Other Names
-
- .alpha.-phenylbenzenemethanol
- Benzenemethanol, .alpha.-phenyl-
- Benzhydryl alcohol
- Benzohydrol
- Diphenylmethyl alcohol
- Hydroxydiphenylmethane
- NSC 32150
- alpha-Phenylbenzenemethanol
- benzhydrol
- diphenylcarbinol
- diphenylmethanol
- «alpha»-Phenylbenzenemethanol
- «alpha»-Phenylbenzyl alcohol
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5978 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-6752.60; -6725.45] | kJ/mol |
|
| ΔcH°solid | -6725.45 | kJ/mol | NIST |
| ΔcH°solid | -6752.60 | kJ/mol | NIST |
| ΔfG° | 144.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | [-105.30; -77.80] | kJ/mol |
|
| ΔfH°solid | -105.30 ± 2.10 | kJ/mol | NIST |
| ΔfH°solid | -77.80 | kJ/mol | NIST |
| ΔfusH° | 18.07 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 105.70 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 83.00 ± 0.70 | kJ/mol | NIST |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | [-2.55; -2.55] |
|
|
| log10WS | -2.55 | Aq. Solubility Prediction | |
| log10WS | -2.55 | Estimated Solubility | |
| logPoct/wat | 2.768 | Crippen Calculated Property | |
| McVol | 152.380 | ml/mol | McGowan Calculated Property |
| Pc | 3443.98 | kPa | Joback Calculated Property |
| Inp | [1652.00; 1654.70] |
|
|
| Inp | 1654.70 | NIST | |
| Inp | 1652.00 | NIST | |
| Inp | 1654.70 | NIST | |
| Ip | [3187.00; 3187.00] |
|
|
| Ip | 3187.00 | NIST | |
| Ip | 3187.00 | NIST | |
| Tboil | [341.15; 570.70] | K |
|
| Tboil | 570.70 | K | NIST |
| Tboil | 341.15 ± 2.00 | K | NIST |
| Tc | 839.30 | K | Relay (1.0) Calculated Property |
| Tfus | [337.35; 341.15] | K |
|
| Tfus | 339.40 | K | Energetics and structural properties of neutral and deprotonated phenyl carbinols |
| Tfus | 339.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 339.90 | K | Aq. Solubility Prediction |
| Tfus | 338.50 ± 0.50 | K | NIST |
| Tfus | 341.15 ± 1.50 | K | NIST |
| Tfus | 338.75 ± 1.50 | K | NIST |
| Tfus | 341.15 ± 2.00 | K | NIST |
| Tfus | 341.00 ± 3.00 | K | NIST |
| Tfus | 337.65 ± 1.00 | K | NIST |
| Tfus | 337.35 ± 0.50 | K | NIST |
| Vc | 0.552 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 236.80 | J/mol×K | 298.50 | NIST |
| ΔfusH | [23.00; 23.00] | kJ/mol | [338.50; 338.50] |
|
| ΔfusH | 23.00 | kJ/mol | 338.50 | NIST |
| ΔfusH | 23.00 | kJ/mol | 338.50 | NIST |
| ΔfusH | 23.00 | kJ/mol | 338.50 | NIST |
| ΔsubH | 104.50 ± 0.70 | kJ/mol | 318.00 | NIST |
| ΔvapH | [65.40; 79.40] | kJ/mol | [357.50; 506.00] |
|
| ΔvapH | 79.40 ± 0.70 | kJ/mol | 357.50 | NIST |
| ΔvapH | 65.40 | kJ/mol | 506.00 | NIST |
| ΔfusS | 67.95 | J/mol×K | 338.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [453.20; 570.70] | K | [2.70; 99.70] |
|
| Tboilr | 453.20 | K | 2.70 | NIST |
| Tboilr | 570.70 | K | 99.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.93; 472.17] | 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 | -7.31300e+01 | |||
| Coefficient B | 1.12090e+00 | |||
| Coefficient C | -7.79400e-04 | |||
| Coefficient D | 2.03800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 178.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 234.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 283.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 325.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 361.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 391.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 417.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 438.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 456.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 472.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0057672; 0.0000719] | Pa×s | [339.40; 609.39] |
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 | -1.50518e+01 | |||
| Coefficient B | 3.35877e+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. | 339.40 | |||
| Temperature range, max. | 609.39 | |||
| η | 0.0057672 | Pa×s | 339.40 | Calculated Property |
| η | 0.0025819 | Pa×s | 369.40 | Calculated Property |
| η | 0.0013042 | Pa×s | 399.40 | Calculated Property |
| η | 0.0007247 | Pa×s | 429.40 | Calculated Property |
| η | 0.0004349 | Pa×s | 459.40 | Calculated Property |
| η | 0.0002778 | Pa×s | 489.39 | Calculated Property |
| η | 0.0001869 | Pa×s | 519.39 | Calculated Property |
| η | 0.0001313 | Pa×s | 549.39 | Calculated Property |
| η | 0.0000957 | Pa×s | 579.39 | Calculated Property |
| η | 0.0000719 | Pa×s | 609.39 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.13; 101.71] | kPa | [383.00; 574.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.08150e+01 | |||
| Coefficient B | -1.06316e+04 | |||
| Coefficient C | 8.25570e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 383.00 | |||
| Temperature range, max. | 574.00 | |||
| Pvap | 0.13 | kPa | 383.00 | Calculated Property |
| Pvap | 0.36 | kPa | 404.22 | Calculated Property |
| Pvap | 0.89 | kPa | 425.44 | Calculated Property |
| Pvap | 2.07 | kPa | 446.67 | Calculated Property |
| Pvap | 4.48 | kPa | 467.89 | Calculated Property |
| Pvap | 9.18 | kPa | 489.11 | Calculated Property |
| Pvap | 17.87 | kPa | 510.33 | Calculated Property |
| Pvap | 33.21 | kPa | 531.56 | Calculated Property |
| Pvap | 59.22 | kPa | 552.78 | Calculated Property |
| Pvap | 101.71 | kPa | 574.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanol, «alpha»-phenyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Energetics and structural properties of neutral and deprotonated phenyl carbinols
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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