- InChI
- InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
- InChI Key
- NXXYKOUNUYWIHA-UHFFFAOYSA-N
- Formula
- C8H10O
- SMILES
- Cc1cccc(C)c1O
- Molecular Weight1
- 122.16
- CAS
- 576-26-1
- Other Names
-
- 1,2,6-Xylenol
- 1,3-Dimethyl-2-hydroxybenzene
- 1-HYDROXY-2,6-DIMETHYLBENZENE
- 2,6-DIMETHYLPHENOL
- 2,6-Dmp
- 2,6-Xylenol
- NSC 2123
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboil : Boiling point at given 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 |
|---|---|---|---|
| ΔcH°solid | [-4344.20; -4325.40] | kJ/mol |
|
| ΔcH°solid | -4344.20 ± 2.90 | kJ/mol | NIST |
| ΔcH°solid | -4325.40 | kJ/mol | NIST |
| ΔcH°solid | -4339.90 ± 1.00 | kJ/mol | NIST |
| ΔfG° | -35.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-174.40; -157.50] | kJ/mol |
|
| ΔfH°gas | -161.90 | kJ/mol | KDB |
| ΔfH°gas | -157.50 | kJ/mol | NIST |
| ΔfH°gas | -174.40 | kJ/mol | NIST |
| ΔfH°gas | -161.80 ± 0.54 | kJ/mol | NIST |
| ΔfH°solid | [-250.00; -233.10] | kJ/mol |
|
| ΔfH°solid | -233.10 ± 2.90 | kJ/mol | NIST |
| ΔfH°solid | -250.00 | kJ/mol | NIST |
| ΔfH°solid | -237.40 ± 1.10 | kJ/mol | NIST |
| ΔfusH° | 15.91 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [59.40; 75.60] | kJ/mol |
|
| ΔsubH° | 75.60 | kJ/mol | NIST |
| ΔsubH° | 75.10 | kJ/mol | NIST |
| ΔsubH° | 75.60 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | 75.60 | kJ/mol | NIST |
| ΔsubH° | 59.40 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | [75.10; 75.60] | kJ/mol |
|
| ΔvapH° | 75.31 | kJ/mol | NIST |
| ΔvapH° | 75.60 | kJ/mol | NIST |
| ΔvapH° | 75.10 | kJ/mol | NIST |
| IE | [8.05; 8.34] | eV |
|
| IE | 8.05 ± 0.02 | eV | NIST |
| IE | 8.26 | eV | NIST |
| IE | 8.34 | eV | NIST |
| log10WS | [-1.31; -1.29] |
|
|
| log10WS | -1.31 | Aq. Sol... | |
| log10WS | -1.29 | Estimat... | |
| logPoct/wat | 2.009 | Crippen Calculated Property | |
| McVol | 105.690 | ml/mol | McGowan Calculated Property |
| Pc | 4322.57 | kPa | Joback Calculated Property |
| Inp | [182.30; 1138.00] |
|
|
| Inp | 1115.77 | NIST | |
| Inp | 1080.49 | NIST | |
| Inp | 1081.07 | NIST | |
| Inp | 1081.55 | NIST | |
| Inp | 1082.02 | NIST | |
| Inp | 1079.00 | NIST | |
| Inp | 1083.07 | NIST | |
| Inp | 1087.90 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1096.00 | NIST | |
| Inp | 1096.00 | NIST | |
| Inp | 1084.10 | NIST | |
| Inp | 1096.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1102.30 | NIST | |
| Inp | 1104.60 | NIST | |
| Inp | 1105.50 | NIST | |
| Inp | 1080.50 | NIST | |
| Inp | 1080.00 | NIST | |
| Inp | 1102.30 | NIST | |
| Inp | 1104.60 | NIST | |
| Inp | 1105.50 | NIST | |
| Inp | 1108.00 | NIST | |
| Inp | 1082.12 | NIST | |
| Inp | 1077.41 | NIST | |
| Inp | 1078.00 | NIST | |
| Inp | 1078.41 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1117.00 | NIST | |
| Inp | 1114.20 | NIST | |
| Inp | 1114.90 | NIST | |
| Inp | 1117.20 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1080.00 | NIST | |
| Inp | 1079.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1106.31 | NIST | |
| Inp | 1076.00 | NIST | |
| Inp | 1087.00 | NIST | |
| Inp | 1108.00 | NIST | |
| Inp | 1111.00 | NIST | |
| Inp | 1112.00 | NIST | |
| Inp | 1112.00 | NIST | |
| Inp | 1112.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1108.00 | NIST | |
| Inp | 1079.00 | NIST | |
| Inp | 1078.00 | NIST | |
| Inp | 1079.00 | NIST | |
| Inp | Outlier 184.51 | NIST | |
| Inp | Outlier 182.30 | NIST | |
| Inp | Outlier 184.08 | NIST | |
| Inp | Outlier 184.08 | NIST | |
| Inp | Outlier 184.51 | NIST | |
| Inp | 1087.00 | NIST | |
| Inp | 1112.00 | NIST | |
| Inp | 1078.00 | NIST | |
| I | [1889.00; 1918.00] |
|
|
| I | 1917.00 | NIST | |
| I | 1918.00 | NIST | |
| I | 1894.00 | NIST | |
| I | 1889.00 | NIST | |
| I | 1917.00 | NIST | |
| Tboil | 474.22 | K | KDB |
| Tc | [700.95; 701.00] | K |
|
| Tc | 701.00 | K | KDB |
| Tc | 700.95 ± 0.20 | K | NIST |
| Tfus | [318.80; 320.57] | K |
|
| Tfus | 318.80 | K | KDB |
| Tfus | 320.57 | K | Aq. Sol... |
| Vc | 0.342 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.69; 282.81] | J/mol×K | [494.72; 722.03] |
|
| Cp,gas | 224.69 | J/mol×K | 494.72 | Joback Calculated Property |
| Cp,gas | 236.18 | J/mol×K | 532.60 | Joback Calculated Property |
| Cp,gas | 246.85 | J/mol×K | 570.49 | Joback Calculated Property |
| Cp,gas | 256.78 | J/mol×K | 608.37 | Joback Calculated Property |
| Cp,gas | 266.04 | J/mol×K | 646.26 | Joback Calculated Property |
| Cp,gas | 274.69 | J/mol×K | 684.14 | Joback Calculated Property |
| Cp,gas | 282.81 | J/mol×K | 722.03 | Joback Calculated Property |
| η | [0.0000891; 0.0031710] | Pa×s | [330.58; 494.72] |
|
| η | 0.0031710 | Pa×s | 330.58 | Joback Calculated Property |
| η | 0.0013928 | Pa×s | 357.94 | Joback Calculated Property |
| η | 0.0006876 | Pa×s | 385.29 | Joback Calculated Property |
| η | 0.0003727 | Pa×s | 412.65 | Joback Calculated Property |
| η | 0.0002180 | Pa×s | 440.01 | Joback Calculated Property |
| η | 0.0001358 | Pa×s | 467.36 | Joback Calculated Property |
| η | 0.0000891 | Pa×s | 494.72 | Joback Calculated Property |
| ΔfusH | [18.83; 18.90] | kJ/mol | [318.60; 318.90] |
|
| ΔfusH | 18.83 | kJ/mol | 318.60 | NIST |
| ΔfusH | 18.90 | kJ/mol | 318.90 | NIST |
| ΔfusH | 18.90 | kJ/mol | 318.90 | NIST |
| ΔfusH | 18.90 | kJ/mol | 318.90 | NIST |
| ΔsubH | 75.60 ± 0.17 | kJ/mol | 295.00 | NIST |
| ΔvapH | 48.50 | kJ/mol | 446.50 | NIST |
| ΔfusS | 59.26 | J/mol×K | 318.90 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboil | [390.06; 438.90] | K | [6.70; 35.64] |
|
| Tboil | 390.06 | K | 6.70 | Measure... |
| Tboil | 396.14 | K | 8.87 | Measure... |
| Tboil | 401.43 | K | 10.89 | Measure... |
| Tboil | 405.64 | K | 12.74 | Measure... |
| Tboil | 409.97 | K | 14.98 | Measure... |
| Tboil | 413.33 | K | 16.80 | Measure... |
| Tboil | 416.65 | K | 18.91 | Measure... |
| Tboil | 418.11 | K | 20.00 | Measure... |
| Tboil | 419.43 | K | 21.02 | Measure... |
| Tboil | 422.01 | K | 22.83 | Measure... |
| Tboil | 436.55 | K | 33.02 | Measure... |
| Tboil | 438.90 | K | 35.64 | Measure... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [359.38; 501.45] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54388e+01 | |||
| Coefficient B | -4.33921e+03 | |||
| Coefficient C | -7.29830e+01 | |||
| Temperature range, min. | 359.38 | |||
| Temperature range, max. | 501.45 | |||
| Pvap | 1.33 | kPa | 359.38 | Calculated Property |
| Pvap | 2.94 | kPa | 375.17 | Calculated Property |
| Pvap | 6.00 | kPa | 390.95 | Calculated Property |
| Pvap | 11.45 | kPa | 406.74 | Calculated Property |
| Pvap | 20.59 | kPa | 422.52 | Calculated Property |
| Pvap | 35.20 | kPa | 438.31 | Calculated Property |
| Pvap | 57.58 | kPa | 454.09 | Calculated Property |
| Pvap | 90.56 | kPa | 469.88 | Calculated Property |
| Pvap | 137.57 | kPa | 485.66 | Calculated Property |
| Pvap | 202.66 | kPa | 501.45 | Calculated Property |
| Pvap | [0.16; 4387.97] | kPa | [318.76; 701.05] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.30489e+02 | |||
| Coefficient B | -1.16579e+04 | |||
| Coefficient C | -1.67611e+01 | |||
| Coefficient D | 8.86220e-06 | |||
| Temperature range, min. | 318.76 | |||
| Temperature range, max. | 701.05 | |||
| Pvap | 0.16 | kPa | 318.76 | Calculated Property |
| Pvap | 1.93 | kPa | 361.24 | Calculated Property |
| Pvap | 11.92 | kPa | 403.71 | Calculated Property |
| Pvap | 47.95 | kPa | 446.19 | Calculated Property |
| Pvap | 143.89 | kPa | 488.67 | Calculated Property |
| Pvap | 352.04 | kPa | 531.14 | Calculated Property |
| Pvap | 746.51 | kPa | 573.62 | Calculated Property |
| Pvap | 1432.39 | kPa | 616.10 | Calculated Property |
| Pvap | 2565.43 | kPa | 658.57 | Calculated Property |
| Pvap | 4387.97 | kPa | 701.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,6-dimethyl-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Measurement and correlation of isobaric vapour-liquid equilibrium for systems of o-cresol, m-cresol and 2, 6-dimethylphenol at 20.0 kPa
- Thermochemistry of Li, Na, K, Rb and Cs alkylated phenoxides
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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