- InChI
- InChI=1S/C8H10O2/c1-5-3-7(9)6(2)8(10)4-5/h3-4,9-10H,1-2H3
- InChI Key
- GHVHDYYKJYXFGU-UHFFFAOYSA-N
- Formula
- C8H10O2
- SMILES
- Cc1cc(O)c(C)c(O)c1
- Molecular Weight1
- 138.17
- Other Names
-
- 1,3-Dihydroxy-2,5-dimethylbenzene
- 2,5-dimethylresorcinol
- ω : Acentric Factor.
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.6218 | Relay (1.0) Calculated Property | |
| ΔfG° | -189.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.715 | Crippen Calculated Property | |
| McVol | 111.560 | ml/mol | McGowan Calculated Property |
| Pc | 5312.41 | kPa | Joback Calculated Property |
| Inp | [1429.70; 1429.70] |
|
|
| Inp | 1429.70 | NIST | |
| Inp | 1429.70 | NIST | |
| Tboil | 542.99 | K | Relay (1.0) Calculated Property |
| Tc | 752.29 | K | Relay (1.0) Calculated Property |
| Tfus | 436.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 74.70 | kJ/mol | 426.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.26; 355.33] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.18300e+01 | |||
| Coefficient B | 9.34640e-01 | |||
| Coefficient C | -8.88280e-04 | |||
| Coefficient D | 3.50800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 154.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 225.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 251.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 273.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 292.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 308.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 324.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 339.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 355.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002816; 0.0000106] | Pa×s | [436.15; 570.55] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -2.20955e+01 | |||
| Coefficient B | 6.07144e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 436.15 | |||
| Temperature range, max. | 570.55 | |||
| η | 0.0002816 | Pa×s | 436.15 | Calculated Property |
| η | 0.0001776 | Pa×s | 451.08 | Calculated Property |
| η | 0.0001154 | Pa×s | 466.02 | Calculated Property |
| η | 0.0000770 | Pa×s | 480.95 | Calculated Property |
| η | 0.0000526 | Pa×s | 495.89 | Calculated Property |
| η | 0.0000368 | Pa×s | 510.82 | Calculated Property |
| η | 0.0000263 | Pa×s | 525.75 | Calculated Property |
| η | 0.0000191 | Pa×s | 540.69 | Calculated Property |
| η | 0.0000141 | Pa×s | 555.62 | Calculated Property |
| η | 0.0000106 | Pa×s | 570.55 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dimethylbenzene-1,3-diol.
Sources
- 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).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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