- InChI
- InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
- InChI Key
- YCOXTKKNXUZSKD-UHFFFAOYSA-N
- Formula
- C8H10O
- SMILES
- Cc1ccc(O)cc1C
- Molecular Weight1
- 122.16
- CAS
- 95-65-8
- Other Names
-
- 1,2-Dimethyl-4-hydroxybenzene
- 1,3,4-Xylenol
- 1-HYDROXY-3,4-DIMETHYLBENZENE
- 3,4-DIMETHYLPHENOL
- 3,4-DMP
- 3,4-Xylenol
- 4,5-Dimethylphenol
- 4-Hydroxy-1,2-dimethylbenzene
- NSC 1549
- 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).
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -4334.90 ± 1.10 | kJ/mol | NIST |
| μ | 1.70 | debye | KDB |
| ΔfG° | -35.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-156.60; -156.50] | kJ/mol |
|
| ΔfH°gas | -156.50 | kJ/mol | KDB |
| ΔfH°gas | -156.60 ± 0.59 | kJ/mol | NIST |
| ΔfH°solid | -242.40 ± 0.59 | kJ/mol | NIST |
| ΔfusH° | 15.91 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [85.00; 85.80] | kJ/mol |
|
| ΔsubH° | 85.10 | kJ/mol | NIST |
| ΔsubH° | 85.00 | kJ/mol | NIST |
| ΔsubH° | 85.70 ± 0.10 | kJ/mol | NIST |
| ΔsubH° | 85.80 | kJ/mol | NIST |
| ΔvapH° | [45.61; 85.10] | kJ/mol |
|
| ΔvapH° | 85.03 | kJ/mol | NIST |
| ΔvapH° | 85.10 | kJ/mol | NIST |
| ΔvapH° | 85.00 | kJ/mol | NIST |
| ΔvapH° | 45.61 | kJ/mol | NIST |
| IE | 8.09 | eV | NIST |
| log10WS | [-1.41; -1.38] |
|
|
| log10WS | -1.41 | Aq. Sol... | |
| log10WS | -1.38 | Estimat... | |
| logPoct/wat | 2.009 | Crippen Calculated Property | |
| McVol | 105.690 | ml/mol | McGowan Calculated Property |
| Pc | 6586.12 ± 303.98 | kPa | NIST |
| Inp | [199.60; 1221.00] |
|
|
| Inp | 1165.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1168.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Inp | 1209.00 | NIST | |
| Inp | 1166.50 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1195.40 | NIST | |
| Inp | 1196.30 | NIST | |
| Inp | 1198.20 | NIST | |
| Inp | 1182.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1221.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Inp | 1171.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | Outlier 201.40 | NIST | |
| Inp | Outlier 199.60 | NIST | |
| Inp | Outlier 201.49 | NIST | |
| Inp | Outlier 201.49 | NIST | |
| Inp | Outlier 201.68 | NIST | |
| Inp | 1169.00 | NIST | |
| I | [2189.00; 2233.00] |
|
|
| I | 2233.00 | NIST | |
| I | 2225.00 | NIST | |
| I | 2208.00 | NIST | |
| I | 2192.00 | NIST | |
| I | 2189.00 | NIST | |
| I | 2192.00 | NIST | |
| Tboil | 500.00 | K | KDB |
| Tc | [729.80; 769.55] | K |
|
| Tc | 729.80 | K | KDB |
| Tc | 729.85 ± 0.80 | K | NIST |
| Tc | 769.55 ± 2.00 | K | NIST |
| Tfus | [333.90; 341.15] | K |
|
| Tfus | 333.90 | K | KDB |
| Tfus | 336.75 | K | Aq. Sol... |
| Tfus | 341.15 | K | Liquid ... |
| 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 | [18.13; 19.04] | kJ/mol | [334.00; 338.50] |
|
| ΔfusH | 18.13 | kJ/mol | 334.00 | NIST |
| ΔfusH | 18.13 | kJ/mol | 334.00 | NIST |
| ΔfusH | 18.13 | kJ/mol | 334.00 | NIST |
| ΔfusH | 19.04 | kJ/mol | 338.50 | NIST |
| ΔsubH | [72.40; 85.70] | kJ/mol | [299.00; 302.50] |
|
| ΔsubH | 72.40 ± 0.80 | kJ/mol | 299.00 | NIST |
| ΔsubH | 85.70 ± 0.10 | kJ/mol | 302.50 | NIST |
| ΔvapH | 54.90 | kJ/mol | 473.00 | NIST |
| ΔfusS | 54.27 | J/mol×K | 334.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [380.12; 528.69] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54534e+01 | |||
| Coefficient B | -4.54866e+03 | |||
| Coefficient C | -8.01920e+01 | |||
| Temperature range, min. | 380.12 | |||
| Temperature range, max. | 528.69 | |||
| Pvap | 1.33 | kPa | 380.12 | Calculated Property |
| Pvap | 2.94 | kPa | 396.63 | Calculated Property |
| Pvap | 6.00 | kPa | 413.14 | Calculated Property |
| Pvap | 11.44 | kPa | 429.64 | Calculated Property |
| Pvap | 20.57 | kPa | 446.15 | Calculated Property |
| Pvap | 35.18 | kPa | 462.66 | Calculated Property |
| Pvap | 57.54 | kPa | 479.17 | Calculated Property |
| Pvap | 90.52 | kPa | 495.67 | Calculated Property |
| Pvap | 137.53 | kPa | 512.18 | Calculated Property |
| Pvap | 202.64 | kPa | 528.69 | Calculated Property |
| Pvap | [0.10; 5111.27] | kPa | [338.25; 729.95] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.67166e+02 | |||
| Coefficient B | -1.46931e+04 | |||
| Coefficient C | -2.18420e+01 | |||
| Coefficient D | 1.03338e-05 | |||
| Temperature range, min. | 338.25 | |||
| Temperature range, max. | 729.95 | |||
| Pvap | 0.10 | kPa | 338.25 | Calculated Property |
| Pvap | 1.40 | kPa | 381.77 | Calculated Property |
| Pvap | 9.80 | kPa | 425.29 | Calculated Property |
| Pvap | 43.09 | kPa | 468.82 | Calculated Property |
| Pvap | 138.09 | kPa | 512.34 | Calculated Property |
| Pvap | 355.29 | kPa | 555.86 | Calculated Property |
| Pvap | 784.73 | kPa | 599.38 | Calculated Property |
| Pvap | 1560.07 | kPa | 642.91 | Calculated Property |
| Pvap | 2889.03 | kPa | 686.43 | Calculated Property |
| Pvap | 5111.27 | kPa | 729.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 3,4-dimethyl-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Liquid pharmaceuticals formulation by eutectic formation
- 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.