- InChI
- InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
- InChI Key
- TUAMRELNJMMDMT-UHFFFAOYSA-N
- Formula
- C8H10O
- SMILES
- Cc1cc(C)cc(O)c1
- Molecular Weight1
- 122.16
- CAS
- 108-68-9
- Other Names
-
- 1,3,5-Xylenol
- 1,3-Dimethyl-5-hydroxybenzene
- 1,5-Dimethyl-3-hydroxybenzene
- 1-HYDROXY-3,5-DIMETHYLBENZENE
- 3,5-DIMETHYLPHENOL
- 3,5-Dmp
- 3,5-Xylen-1-ol
- 3,5-Xylenol
- NSC 9268
- benzene, 1-hydroxy-3,5-dimethyl-
- 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 | -4332.80 ± 1.20 | kJ/mol | NIST |
| μ | 1.80 | debye | KDB |
| ΔfG° | -35.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-161.60; -161.50] | kJ/mol |
|
| ΔfH°gas | -161.50 | kJ/mol | KDB |
| ΔfH°gas | -161.60 ± 0.67 | kJ/mol | NIST |
| ΔfH°solid | -244.50 ± 1.20 | kJ/mol | NIST |
| ΔfusH° | 15.91 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [82.80; 82.90] | kJ/mol |
|
| ΔsubH° | 82.80 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 82.90 | kJ/mol | NIST |
| ΔvapH° | [45.40; 82.01] | kJ/mol |
|
| ΔvapH° | 82.01 | kJ/mol | NIST |
| ΔvapH° | 45.40 | kJ/mol | NIST |
| log10WS | [-1.40; -1.40] |
|
|
| log10WS | -1.40 | Aq. Sol... | |
| log10WS | -1.40 | Estimat... | |
| logPoct/wat | 2.009 | Crippen Calculated Property | |
| McVol | 105.690 | ml/mol | McGowan Calculated Property |
| Pc | 5572.87 ± 303.98 | kPa | NIST |
| Inp | [193.40; 1196.00] |
|
|
| Inp | 1143.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1179.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1143.40 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1169.50 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1171.30 | NIST | |
| Inp | 1171.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1168.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1181.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1187.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | Outlier 193.40 | NIST | |
| Inp | Outlier 196.48 | NIST | |
| Inp | Outlier 196.53 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1179.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1187.00 | NIST | |
| I | [2105.00; 2181.00] |
|
|
| I | 2174.00 | NIST | |
| I | 2105.00 | NIST | |
| I | 2163.00 | NIST | |
| I | 2174.00 | NIST | |
| I | 2181.00 | NIST | |
| I | 2146.00 | NIST | |
| I | 2105.00 | NIST | |
| Tboil | 494.89 | K | KDB |
| Tc | [715.55; 766.15] | K |
|
| Tc | 715.60 | K | KDB |
| Tc | 715.55 ± 0.80 | K | NIST |
| Tc | 766.15 ± 2.00 | K | NIST |
| Tfus | [336.70; 336.92] | K |
|
| Tfus | 336.70 | K | KDB |
| Tfus | 336.75 | K | Aq. Sol... |
| Tfus | 336.92 | K | (Solid ... |
| 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 | [17.42; 18.00] | kJ/mol | [336.59; 336.80] |
|
| ΔfusH | 17.42 | kJ/mol | 336.59 | NIST |
| ΔfusH | 18.00 | kJ/mol | 336.80 | NIST |
| ΔfusH | 18.00 | kJ/mol | 336.80 | NIST |
| ΔfusH | 18.00 | kJ/mol | 336.80 | NIST |
| ΔsubH | [63.20; 82.80] | kJ/mol | [299.00; 302.50] |
|
| ΔsubH | 63.20 ± 0.80 | kJ/mol | 299.00 | NIST |
| ΔsubH | 82.80 ± 0.30 | kJ/mol | 302.50 | NIST |
| ΔvapH | 55.30 | kJ/mol | 462.00 | NIST |
| ΔfusS | 53.38 | J/mol×K | 336.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [375.91; 522.20] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55172e+01 | |||
| Coefficient B | -4.52595e+03 | |||
| Coefficient C | -7.87290e+01 | |||
| Temperature range, min. | 375.91 | |||
| Temperature range, max. | 522.20 | |||
| Pvap | 1.33 | kPa | 375.91 | Calculated Property |
| Pvap | 2.94 | kPa | 392.16 | Calculated Property |
| Pvap | 5.98 | kPa | 408.42 | Calculated Property |
| Pvap | 11.41 | kPa | 424.67 | Calculated Property |
| Pvap | 20.52 | kPa | 440.93 | Calculated Property |
| Pvap | 35.10 | kPa | 457.18 | Calculated Property |
| Pvap | 57.43 | kPa | 473.44 | Calculated Property |
| Pvap | 90.39 | kPa | 489.69 | Calculated Property |
| Pvap | 137.43 | kPa | 505.95 | Calculated Property |
| Pvap | 202.63 | kPa | 522.20 | Calculated Property |
| Pvap | [0.12; 3561.94] | kPa | [336.59; 715.65] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.56615e+02 | |||
| Coefficient B | -1.41866e+04 | |||
| Coefficient C | -2.01992e+01 | |||
| Coefficient D | 8.12303e-06 | |||
| Temperature range, min. | 336.59 | |||
| Temperature range, max. | 715.65 | |||
| Pvap | 0.12 | kPa | 336.59 | Calculated Property |
| Pvap | 1.49 | kPa | 378.71 | Calculated Property |
| Pvap | 9.91 | kPa | 420.83 | Calculated Property |
| Pvap | 41.94 | kPa | 462.94 | Calculated Property |
| Pvap | 129.55 | kPa | 505.06 | Calculated Property |
| Pvap | 319.97 | kPa | 547.18 | Calculated Property |
| Pvap | 673.32 | kPa | 589.30 | Calculated Property |
| Pvap | 1263.02 | kPa | 631.41 | Calculated Property |
| Pvap | 2182.81 | kPa | 673.53 | Calculated Property |
| Pvap | 3561.94 | kPa | 715.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 3,5-dimethyl-.
Mixtures
- 2-Pyrrolidinone, 1-methyl- + Phenol, 3,5-dimethyl-
- Methyl Isobutyl Ketone + Phenol, 3,5-dimethyl- + Water
Sources
- KDB Vapor Pressure Data
- Crippen Method
- (Solid + liquid) phase equilibria and solid-compound formation in (N-methyl-2-pyrrolidinone + phenol, or 3,5-dimethylphenol)
- Experiments and COSMO-SAC Modeling of Methyl Isobutyl Ketone + Dimethylphenols + Water Mixtures
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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