- InChI
- InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
- InChI Key
- NKTOLZVEWDHZMU-UHFFFAOYSA-N
- Formula
- C8H10O
- SMILES
- Cc1ccc(C)c(O)c1
- Molecular Weight1
- 122.16
- CAS
- 95-87-4
- Other Names
-
- 1,2,5-Xylenol
- 1,4-Dimethyl-2-hydroxybenzene
- 1-HYDROXY-2,5-DIMETHYLBENZENE
- 2,5-DIMETHYLPHENOL
- 2,5-Dmp
- 2,5-Xylenol
- 2-Hydroxy-p-xylene
- 3,6-Dimethylphenol
- 3,6-Xylenol
- 6-Methyl-m-cresol
- NSC 2599
- p-Xylenol
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- 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).
- 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).
- 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 | -4330.61 ± 0.92 | kJ/mol | NIST |
| μ | 1.50 | debye | KDB |
| ΔfG° | -35.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-161.70; -161.50] | kJ/mol |
|
| ΔfH°gas | -161.50 | kJ/mol | KDB |
| ΔfH°gas | -161.70 ± 0.50 | kJ/mol | NIST |
| ΔfH°solid | -246.30 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 15.91 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [84.60; 85.00] | kJ/mol |
|
| ΔsubH° | 85.00 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 84.60 | kJ/mol | NIST |
| ΔvapH° | 49.35 | kJ/mol | Joback Calculated Property |
| log10WS | -1.54 | Aq. Sol... | |
| logPoct/wat | 2.009 | Crippen Calculated Property | |
| McVol | 105.690 | ml/mol | McGowan Calculated Property |
| Pc | 4322.57 | kPa | Joback Calculated Property |
| Inp | [190.90; 1174.00] |
|
|
| Inp | 1125.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1124.80 | NIST | |
| Inp | 1108.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1150.90 | NIST | |
| Inp | 1151.80 | NIST | |
| Inp | 1153.50 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1174.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1109.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1171.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | Outlier 192.82 | NIST | |
| Inp | Outlier 190.90 | NIST | |
| Inp | Outlier 192.94 | NIST | |
| I | [2066.00; 2086.00] |
|
|
| I | 2072.00 | NIST | |
| I | 2085.00 | NIST | |
| I | 2074.00 | NIST | |
| I | 2073.00 | NIST | |
| I | 2086.00 | NIST | |
| I | 2072.00 | NIST | |
| I | 2066.00 | NIST | |
| I | 2068.00 | NIST | |
| I | 2074.00 | NIST | |
| Tboil | 484.33 | K | KDB |
| Tc | [706.90; 723.05] | K |
|
| Tc | 706.90 | K | KDB |
| Tc | 706.90 ± 0.20 | K | NIST |
| Tc | 723.05 ± 0.50 | K | NIST |
| Tfus | [347.90; 348.27] | K |
|
| Tfus | 347.90 | K | KDB |
| Tfus | 348.27 | 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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 220 230 240 250 260 270 280 500 600 700 | ||||
| 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] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 350 400 450 | ||||
| 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 | [13.81; 23.38] | kJ/mol | [348.00; 348.10] |
|
| ΔfusH | 23.38 | kJ/mol | 348.00 | NIST |
| ΔfusH | 23.38 | kJ/mol | 348.00 | NIST |
| ΔfusH | 23.38 | kJ/mol | 348.00 | NIST |
| ΔfusH | 13.81 | kJ/mol | 348.10 | NIST |
| ΔsubH | [64.00; 85.00] | kJ/mol | [302.50; 348.00] |
|
| ΔsubH | 85.00 ± 0.25 | kJ/mol | 302.50 | NIST |
| ΔsubH | 64.00 ± 0.80 | kJ/mol | 348.00 | NIST |
| ΔvapH | 51.70 | kJ/mol | 456.00 | NIST |
| ΔfusS | 67.17 | J/mol×K | 348.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.45; 202.66] | kPa | [347.99; 511.89] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54574e+01 | |||
| Coefficient B | -4.42459e+03 | |||
| Coefficient C | -7.57940e+01 | |||
| Temperature range, min. | 347.99 | |||
| Temperature range, max. | 511.89 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450 500 | ||||
| Pvap | 0.45 | kPa | 347.99 | Calculated Property |
| Pvap | 1.25 | kPa | 366.20 | Calculated Property |
| Pvap | 3.07 | kPa | 384.41 | Calculated Property |
| Pvap | 6.82 | kPa | 402.62 | Calculated Property |
| Pvap | 13.93 | kPa | 420.83 | Calculated Property |
| Pvap | 26.49 | kPa | 439.05 | Calculated Property |
| Pvap | 47.39 | kPa | 457.26 | Calculated Property |
| Pvap | 80.39 | kPa | 475.47 | Calculated Property |
| Pvap | 130.24 | kPa | 493.68 | Calculated Property |
| Pvap | 202.66 | kPa | 511.89 | Calculated Property |
| Pvap | [0.51; 4959.92] | kPa | [347.99; 707.05] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.27627e+02 | |||
| Coefficient B | -1.20343e+04 | |||
| Coefficient C | -1.61842e+01 | |||
| Coefficient D | 8.17909e-06 | |||
| Temperature range, min. | 347.99 | |||
| Temperature range, max. | 707.05 | |||
|
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 400 500 600 700 | ||||
| Pvap | 0.51 | kPa | 347.99 | Calculated Property |
| Pvap | 3.91 | kPa | 387.89 | Calculated Property |
| Pvap | 18.88 | kPa | 427.78 | Calculated Property |
| Pvap | 65.82 | kPa | 467.68 | Calculated Property |
| Pvap | 181.78 | kPa | 507.57 | Calculated Property |
| Pvap | 424.23 | kPa | 547.47 | Calculated Property |
| Pvap | 875.91 | kPa | 587.36 | Calculated Property |
| Pvap | 1654.38 | kPa | 627.26 | Calculated Property |
| Pvap | 2930.40 | kPa | 667.15 | Calculated Property |
| Pvap | 4959.92 | kPa | 707.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,5-dimethyl-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Solubilities of Substituted Phenols in Supercritical Carbon Dioxide
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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