- InChI
- InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
- InChI Key
- OIPPWFOQEKKFEE-UHFFFAOYSA-N
- Formula
- C7H8O2
- SMILES
- Cc1cc(O)cc(O)c1
- Molecular Weight1
- 124.14
- CAS
- 504-15-4
- Other Names
-
- 1,3-benzenediol, 5-methyl-
- 1,3-dihydroxy-5-methylbenzene
- 3,5-Dihydroxytoluene
- 3,5-Toluenediol
- 3-Hydroxy-5-methylphenol
- 5-Methyl-1,3-dihydroxybenzene
- 5-Methylresorcin
- 5-Methylresorcinol
- 5-methyl-1,3-benzenediol
- Dihydroxytoluene
- Methylresorcinol
- NSC 12441
- Orcine
- orcin
- resorcinol, 5-methyl-
- 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).
- 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).
- Psub : Sublimation 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 |
|---|---|---|---|
| ΔfG° | -188.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.49 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 102.90 ± 3.50 | kJ/mol | NIST |
| ΔvapH° | 59.48 | kJ/mol | Joback Calculated Property |
| log10WS | -1.04 | Crippen Calculated Property | |
| logPoct/wat | 1.406 | Crippen Calculated Property | |
| McVol | 97.470 | ml/mol | McGowan Calculated Property |
| Pc | 6288.83 | kPa | Joback Calculated Property |
| Inp | [1369.00; 1378.10] |
|
|
| Inp | 1378.10 | NIST | |
| Inp | 1369.00 | NIST | |
| Tboil | 562.70 | K | NIST |
| Tc | 790.85 | K | Joback Calculated Property |
| Tfus | 418.51 | K | Joback Calculated Property |
| Vc | 0.252 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.69; 272.32] | J/mol×K | [547.48; 790.85] |
|
| Cp,gas | 226.69 | J/mol×K | 547.48 | Joback Calculated Property |
| Cp,gas | 235.94 | J/mol×K | 588.04 | Joback Calculated Property |
| Cp,gas | 244.34 | J/mol×K | 628.60 | Joback Calculated Property |
| Cp,gas | 252.03 | J/mol×K | 669.16 | Joback Calculated Property |
| Cp,gas | 259.16 | J/mol×K | 709.73 | Joback Calculated Property |
| Cp,gas | 265.88 | J/mol×K | 750.29 | Joback Calculated Property |
| Cp,gas | 272.32 | J/mol×K | 790.85 | Joback Calculated Property |
| η | [0.0000153; 0.0004561] | Pa×s | [418.51; 547.48] |
|
| η | 0.0004561 | Pa×s | 418.51 | Joback Calculated Property |
| η | 0.0002256 | Pa×s | 440.00 | Joback Calculated Property |
| η | 0.0001192 | Pa×s | 461.50 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 483.00 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 504.49 | Joback Calculated Property |
| η | 0.0000240 | Pa×s | 525.99 | Joback Calculated Property |
| η | 0.0000153 | Pa×s | 547.48 | Joback Calculated Property |
| ΔsubH | 102.30 ± 0.70 | kJ/mol | 330.00 | NIST |
| ΔvapH | 76.60 | kJ/mol | 435.00 | NIST |
| Psub | [1.53e-04; 9.74e-04] | kPa | [322.20; 338.10] |
|
| Psub | 1.57e-04 | kPa | 322.20 | Experim... |
| Psub | 1.53e-04 | kPa | 322.20 | Experim... |
| Psub | 1.53e-04 | kPa | 322.20 | Experim... |
| Psub | 1.99e-04 | kPa | 324.16 | Experim... |
| Psub | 1.96e-04 | kPa | 324.16 | Experim... |
| Psub | 1.93e-04 | kPa | 324.16 | Experim... |
| Psub | 2.45e-04 | kPa | 326.10 | Experim... |
| Psub | 2.46e-04 | kPa | 326.10 | Experim... |
| Psub | 3.11e-04 | kPa | 328.20 | Experim... |
| Psub | 3.03e-04 | kPa | 328.20 | Experim... |
| Psub | 3.04e-04 | kPa | 328.20 | Experim... |
| Psub | 3.94e-04 | kPa | 330.14 | Experim... |
| Psub | 3.83e-04 | kPa | 330.14 | Experim... |
| Psub | 3.78e-04 | kPa | 330.14 | Experim... |
| Psub | 4.99e-04 | kPa | 332.10 | Experim... |
| Psub | 4.85e-04 | kPa | 332.10 | Experim... |
| Psub | 4.82e-04 | kPa | 332.10 | Experim... |
| Psub | 6.07e-04 | kPa | 334.19 | Experim... |
| Psub | 5.96e-04 | kPa | 334.19 | Experim... |
| Psub | 5.91e-04 | kPa | 334.19 | Experim... |
| Psub | 7.66e-04 | kPa | 336.13 | Experim... |
| Psub | 7.54e-04 | kPa | 336.13 | Experim... |
| Psub | 7.34e-04 | kPa | 336.13 | Experim... |
| Psub | 9.74e-04 | kPa | 338.10 | Experim... |
| Psub | 9.35e-04 | kPa | 338.10 | Experim... |
| Psub | 9.32e-04 | kPa | 338.10 | Experim... |
Similar Compounds
Find more compounds similar to Orcinol.
Sources
- Crippen Method
- Crippen Method
- Experimental standard molar enthalpies of formation of some methylbenzenediol isomers
- Joback Method
- McGowan Method
- NIST Webbook
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