- 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
- 122.17
- CAS
- 95-65-8
- Other Names
-
- 1,2-Dimethyl-4-hydroxybenzene
- 1,3,4-Xylenol
- 1-hydroxy-3,4-dimethylbenzene
- 3,4-DMP
- 3,4-dimethylphenol
- 3,4-xylenol
- 4,5-Dimethylphenol
- 4-Hydroxy-1,2-dimethylbenzene
- NSC 1549
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- Ptriple : Triple Point Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- λgas : Gas thermal conductivity (W/m×K).
- λliquid : Liquid thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- UQi : UNIQUAC Qi Parameter.
- URi : UNIQUAC Ri Parameter.
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.5602; 0.5763] |
|
|
| ω | 0.5602 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.5763 | ChemSep v8.3 pure component data Compiled value | |
| ΔcH°solid | -4334.90 ± 1.10 | kJ/mol | NIST |
| μ | [1.70; 1.77] | debye |
|
| μ | 1.77 | debye | ChemSep v8.3 pure component data Compiled value |
| μ | 1.70 | debye | KDB |
| ΔfG° | -34.28 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | [-156.60; -156.50] | kJ/mol |
|
| ΔfH°gas | -156.56 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| 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 |
| ΔsubH° | 85.00 | 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. Solubility Prediction | |
| log10WS | -1.38 | Estimated Solubility | |
| logPoct/wat | 2.009 | Crippen Calculated Property | |
| McVol | 105.690 | ml/mol | McGowan Calculated Property |
| Pc | [4964.93; 6586.12] | kPa |
|
| Pc | 4964.93 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 4964.93 | kPa | ChemSep v8.3 pure component data Compiled value |
| Pc | 6586.12 ± 303.98 | kPa | NIST |
| Ptriple | 0.12 | kPa | ChemSep v8.3 pure component data Compiled value |
| 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 | |
| Inp | 1165.00 | NIST | |
| Inp | 1209.00 | NIST | |
| Inp | Outlier 201.49 | NIST | |
| Ip | [2189.00; 2233.00] |
|
|
| Ip | 2233.00 | NIST | |
| Ip | 2225.00 | NIST | |
| Ip | 2208.00 | NIST | |
| Ip | 2192.00 | NIST | |
| Ip | 2189.00 | NIST | |
| Ip | 2192.00 | NIST | |
| Ip | 2233.00 | NIST | |
| Tboil | [498.15; 500.85] | K |
|
| Tboil | 500.10 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 500.00 | K | KDB |
| Tboil | 500.20 | K | NIST |
| Tboil | 498.15 ± 2.00 | K | NIST |
| Tboil | 498.15 ± 2.00 | K | NIST |
| Tboil | 500.85 ± 3.00 | K | NIST |
| Tboil | 500.05 ± 2.00 | K | NIST |
| Tboil | 499.15 ± 2.00 | K | NIST |
| Tboil | 500.15 ± 2.00 | K | NIST |
| Tboil | 500.85 ± 2.00 | K | NIST |
| Tboil | 498.15 ± 3.00 | K | NIST |
| Tc | [729.80; 769.55] | K |
|
| Tc | 729.80 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Tc | 729.80 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 729.85 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 729.80 | K | KDB |
| Tc | 729.85 ± 0.80 | K | NIST |
| Tc | Outlier 769.55 ± 2.00 | K | NIST |
| Tfus | [333.90; 341.15] | K |
|
| Tfus | Outlier 341.15 | K | Liquid pharmaceuticals formulation by eutectic formation |
| Tfus | 336.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 338.26 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 333.90 | K | KDB |
| Tfus | 336.75 | K | Aq. Solubility Prediction |
| Tfus | 338.15 ± 0.20 | K | NIST |
| Tfus | 338.26 ± 0.05 | K | NIST |
| Tfus | 338.15 ± 2.00 | K | NIST |
| Tfus | 338.45 ± 1.00 | K | NIST |
| Tfus | 337.45 ± 0.50 | K | NIST |
| Tfus | 335.90 ± 2.00 | K | NIST |
| Tfus | 335.65 ± 0.30 | K | NIST |
| Tfus | 338.23 ± 0.10 | K | NIST |
| Tfus | 338.15 ± 2.00 | K | NIST |
| Tfus | 335.15 ± 2.00 | K | NIST |
| Tfus | 338.15 ± 2.00 | K | NIST |
| Tfus | 335.65 ± 2.00 | K | NIST |
| Tfus | 336.15 ± 2.00 | K | NIST |
| Tfus | 335.15 ± 3.00 | K | NIST |
| Tfus | 334.15 ± 3.00 | K | NIST |
| Ttriple | 338.25 | K | ChemSep v8.3 pure component data Compiled value |
| UQi | 3.82 | ChemSep v8.3 pure component data Compiled value | |
| URi | 5.02 | ChemSep v8.3 pure component data Compiled value | |
| Vc | [0.350; 0.460] | m3/kmol |
|
| Vc | 0.350 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.460 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Zc | 0.2880000 | ChemSep v8.3 pure component data Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Cp,gas | [144.13; 390.10] | J/mol×K | [255.00; 1500.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 8.40000e+01 | |||
| Coefficient B | -5.00000e+02 | |||
| Coefficient C | 6.05724e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 255.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 144.13 | J/mol×K | 255.00 | Calculated Property |
| Cp,gas | 203.83 | J/mol×K | 393.33 | Calculated Property |
| Cp,gas | 250.80 | J/mol×K | 531.67 | Calculated Property |
| Cp,gas | 286.55 | J/mol×K | 670.00 | Calculated Property |
| Cp,gas | 314.14 | J/mol×K | 808.33 | Calculated Property |
| Cp,gas | 335.91 | J/mol×K | 946.67 | Calculated Property |
| Cp,gas | 353.46 | J/mol×K | 1085.00 | Calculated Property |
| Cp,gas | 367.87 | J/mol×K | 1223.33 | Calculated Property |
| Cp,gas | 379.91 | J/mol×K | 1361.67 | Calculated Property |
| Cp,gas | 390.10 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [260.46; 342.77] | J/mol×K | [364.98; 544.98] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 9.35500e+01 | |||
| Coefficient B | 4.57300e-01 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 364.98 | |||
| Temperature range, max. | 544.98 | |||
| Cp,liquid | 260.46 | J/mol×K | 364.98 | Calculated Property |
| Cp,liquid | 269.60 | J/mol×K | 384.98 | Calculated Property |
| Cp,liquid | 278.75 | J/mol×K | 404.98 | Calculated Property |
| Cp,liquid | 287.89 | J/mol×K | 424.98 | Calculated Property |
| Cp,liquid | 297.04 | J/mol×K | 444.98 | Calculated Property |
| Cp,liquid | 306.19 | J/mol×K | 464.98 | Calculated Property |
| Cp,liquid | 315.33 | J/mol×K | 484.98 | Calculated Property |
| Cp,liquid | 324.48 | J/mol×K | 504.98 | Calculated Property |
| Cp,liquid | 333.62 | J/mol×K | 524.98 | Calculated Property |
| Cp,liquid | 342.77 | J/mol×K | 544.98 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0054971; 0.0002473] | Pa×s | [338.25; 500.15] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.25370e+03 | |||
| Coefficient B | 5.49530e+04 | |||
| Coefficient C | 1.90080e+02 | |||
| Coefficient D | -1.83120e-04 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 338.25 | |||
| Temperature range, max. | 500.15 | |||
| η | 0.0054971 | Pa×s | 338.25 | Calculated Property |
| η | 0.0028918 | Pa×s | 356.24 | Calculated Property |
| η | 0.0018302 | Pa×s | 374.23 | Calculated Property |
| η | 0.0013086 | Pa×s | 392.22 | Calculated Property |
| η | 0.0010054 | Pa×s | 410.21 | Calculated Property |
| η | 0.0007974 | Pa×s | 428.19 | Calculated Property |
| η | 0.0006322 | Pa×s | 446.18 | Calculated Property |
| η | 0.0004880 | Pa×s | 464.17 | Calculated Property |
| η | 0.0003590 | Pa×s | 482.16 | Calculated Property |
| η | 0.0002473 | Pa×s | 500.15 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [62.54; 0.00] | kJ/mol | [338.25; 729.85] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K | |||
| Coefficient A | 7.78750e+01 | |||
| Coefficient B | 3.52190e-01 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Critical temperature, Tc (K) | 7.29850e+02 | |||
| Comment | Range stopped at Tc; ChemSep gives it to 729.95 K. | |||
| Temperature range, min. | 338.25 | |||
| Temperature range, max. | 729.85 | |||
| ΔvapH | 62.54 | kJ/mol | 338.25 | Calculated Property |
| ΔvapH | 60.00 | kJ/mol | 381.76 | Calculated Property |
| ΔvapH | 57.24 | kJ/mol | 425.27 | Calculated Property |
| ΔvapH | 54.22 | kJ/mol | 468.78 | Calculated Property |
| ΔvapH | 50.85 | kJ/mol | 512.29 | Calculated Property |
| ΔvapH | 47.00 | kJ/mol | 555.81 | Calculated Property |
| ΔvapH | 42.47 | kJ/mol | 599.32 | Calculated Property |
| ΔvapH | 36.82 | kJ/mol | 642.83 | Calculated Property |
| ΔvapH | 28.85 | kJ/mol | 686.34 | Calculated Property |
| ΔvapH | 0.00 | kJ/mol | 729.85 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [380.12; 528.69] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 | [0.12; 5045.89] | kPa | [338.25; 729.95] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.32972e+02 | |||
| Coefficient B | -1.28710e+04 | |||
| Coefficient C | -1.68200e+01 | |||
| Coefficient D | 7.65850e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 338.25 | |||
| Temperature range, max. | 729.95 | |||
| Pvap | 0.12 | kPa | 338.25 | Calculated Property |
| Pvap | 1.47 | kPa | 381.77 | Calculated Property |
| Pvap | 9.84 | kPa | 425.29 | Calculated Property |
| Pvap | 42.72 | kPa | 468.82 | Calculated Property |
| Pvap | 137.10 | kPa | 512.34 | Calculated Property |
| Pvap | 355.10 | kPa | 555.86 | Calculated Property |
| Pvap | 789.06 | kPa | 599.38 | Calculated Property |
| Pvap | 1571.18 | kPa | 642.91 | Calculated Property |
| Pvap | 2893.60 | kPa | 686.43 | Calculated Property |
| Pvap | 5045.89 | kPa | 729.95 | Calculated Property |
| Pvap | [0.10; 5111.27] | kPa | [338.25; 729.95] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.67166e+02 | |||
| Coefficient B | -1.46931e+04 | |||
| Coefficient C | -2.18420e+01 | |||
| Coefficient D | 1.03338e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| 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 |
| Pvap | [20.33; 106.46] | kPa | [445.08; 502.10] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42118e+01 | |||
| Coefficient B | -3.68157e+03 | |||
| Coefficient C | -1.16356e+02 | |||
| Reference | Andon, Biddiscombe, et al., 1960 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 445.08 | |||
| Temperature range, max. | 502.10 | |||
| Pvap | 20.33 | kPa | 445.08 | Calculated Property |
| Pvap | 25.13 | kPa | 451.42 | Calculated Property |
| Pvap | 30.81 | kPa | 457.75 | Calculated Property |
| Pvap | 37.50 | kPa | 464.09 | Calculated Property |
| Pvap | 45.32 | kPa | 470.42 | Calculated Property |
| Pvap | 54.41 | kPa | 476.76 | Calculated Property |
| Pvap | 64.92 | kPa | 483.09 | Calculated Property |
| Pvap | 76.98 | kPa | 489.43 | Calculated Property |
| Pvap | 90.77 | kPa | 495.76 | Calculated Property |
| Pvap | 106.46 | kPa | 502.10 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [991.86; 349.07] | kg/m3 | [338.25; 729.95] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K | |||
| Coefficient A | 1.02119e+02 | |||
| Coefficient B | 2.92550e-01 | |||
| Coefficient C | 7.29950e+02 | |||
| Coefficient D | 2.61740e-01 | |||
| Temperature range, min. | 338.25 | |||
| Temperature range, max. | 729.95 | |||
| ρl | 991.86 | kg/m3 | 338.25 | Calculated Property |
| ρl | 960.91 | kg/m3 | 381.77 | Calculated Property |
| ρl | 928.07 | kg/m3 | 425.29 | Calculated Property |
| ρl | 892.86 | kg/m3 | 468.82 | Calculated Property |
| ρl | 854.63 | kg/m3 | 512.34 | Calculated Property |
| ρl | 812.30 | kg/m3 | 555.86 | Calculated Property |
| ρl | 764.03 | kg/m3 | 599.38 | Calculated Property |
| ρl | 706.08 | kg/m3 | 642.91 | Calculated Property |
| ρl | 628.19 | kg/m3 | 686.43 | Calculated Property |
| ρl | 349.07 | kg/m3 | 729.95 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.03; 0.02] | N/m | [334.15; 500.15] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 6.06067e-02 | |||
| Coefficient B | -9.10000e-05 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 334.15 | |||
| Temperature range, max. | 500.15 | |||
| γ | 0.03 | N/m | 334.15 | Calculated Property |
| γ | 0.03 | N/m | 352.59 | Calculated Property |
| γ | 0.03 | N/m | 371.04 | Calculated Property |
| γ | 0.03 | N/m | 389.48 | Calculated Property |
| γ | 0.02 | N/m | 407.93 | Calculated Property |
| γ | 0.02 | N/m | 426.37 | Calculated Property |
| γ | 0.02 | N/m | 444.82 | Calculated Property |
| γ | 0.02 | N/m | 463.26 | Calculated Property |
| γ | 0.02 | N/m | 481.71 | Calculated Property |
| γ | 0.02 | N/m | 500.15 | Calculated Property |
| γ | [0.03; 0.00] | N/m | [338.25; 729.85] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is γ in N/m, T in K | |||
| Coefficient A | 6.57410e-02 | |||
| Coefficient B | 1.26080e+00 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Critical temperature, Tc (K) | 7.29850e+02 | |||
| Comment | Range stopped at Tc; ChemSep gives it to 729.95 K. | |||
| Temperature range, min. | 338.25 | |||
| Temperature range, max. | 729.85 | |||
| γ | 0.03 | N/m | 338.25 | Calculated Property |
| γ | 0.03 | N/m | 381.76 | Calculated Property |
| γ | 0.02 | N/m | 425.27 | Calculated Property |
| γ | 0.02 | N/m | 468.78 | Calculated Property |
| γ | 0.01 | N/m | 512.29 | Calculated Property |
| γ | 0.01 | N/m | 555.81 | Calculated Property |
| γ | 0.01 | N/m | 599.32 | Calculated Property |
| γ | 0.00 | N/m | 642.83 | Calculated Property |
| γ | 0.00 | N/m | 686.34 | Calculated Property |
| γ | 0.00 | N/m | 729.85 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.03; 0.07] | W/m×K | [500.15; 1000.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K | |||
| Coefficient A | 2.28500e-04 | |||
| Coefficient B | 9.14200e-01 | |||
| Coefficient C | 7.31000e+02 | |||
| Coefficient D | 0.00000e+00 | |||
| Temperature range, min. | 500.15 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.03 | W/m×K | 500.15 | Calculated Property |
| λgas | 0.03 | W/m×K | 555.69 | Calculated Property |
| λgas | 0.04 | W/m×K | 611.23 | Calculated Property |
| λgas | 0.04 | W/m×K | 666.77 | Calculated Property |
| λgas | 0.05 | W/m×K | 722.31 | Calculated Property |
| λgas | 0.05 | W/m×K | 777.84 | Calculated Property |
| λgas | 0.06 | W/m×K | 833.38 | Calculated Property |
| λgas | 0.06 | W/m×K | 888.92 | Calculated Property |
| λgas | 0.07 | W/m×K | 944.46 | Calculated Property |
| λgas | 0.07 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.16; 0.10] | W/m×K | [338.25; 580.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is λliquid in W/m×K, T in K | |||
| Coefficient A | 2.40900e-01 | |||
| Coefficient B | -2.39700e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 338.25 | |||
| Temperature range, max. | 580.00 | |||
| λliquid | 0.16 | W/m×K | 338.25 | Calculated Property |
| λliquid | 0.15 | W/m×K | 365.11 | Calculated Property |
| λliquid | 0.15 | W/m×K | 391.97 | Calculated Property |
| λliquid | 0.14 | W/m×K | 418.83 | Calculated Property |
| λliquid | 0.13 | W/m×K | 445.69 | Calculated Property |
| λliquid | 0.13 | W/m×K | 472.56 | Calculated Property |
| λliquid | 0.12 | W/m×K | 499.42 | Calculated Property |
| λliquid | 0.11 | W/m×K | 526.28 | Calculated Property |
| λliquid | 0.11 | W/m×K | 553.14 | Calculated Property |
| λliquid | 0.10 | W/m×K | 580.00 | Calculated Property |
Similar Compounds
Find more compounds similar to PHENOL, 3,4-DIMETHYL-.
Mixtures
Sources
- KDB Vapor Pressure Data
- 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).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
- 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
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