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- InChI
- InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
- InChI Key
- GHMLBKRAJCXXBS-UHFFFAOYSA-N
- Formula
- C6H6O2
- SMILES
- Oc1cccc(O)c1
- Molecular Weight1
- 110.11
- CAS
- 108-46-3
- Other Names
- 1,3-Benzenediol
- 1,3-Dihydroxybenzene
- 1,3-Dihydroxybenzene (resorcinol)
- 3-Hydroxyphenol
- Benzene, 1,3-dihydroxy-
- Benzene, m-dihydroxy-
- C.I. 76505
- C.I. Developer 4
- C.I. Oxidation Base 31
- Developer O
- Developer R
- Developer RS
- Durafur Developer G
- Fouramine RS
- Fourrine 79
- Fourrine EW
- NCI-C05970
- NSC 1571
- Nako TGG
- Pelagol Grey RS
- Pelagol RS
- Phenol, m-hydroxy-
- Rcra waste number U201
- Resorcin
- Resorcine
- Rodol RS
- UN 2876
- m-Benzenediol
- m-Dihydroxybenzene
- m-Dioxybenzene
- m-Hydroquinone
- m-Hydroxyphenol
- «alpha»-Resorcinol
- Sources
- PAff: Proton affinity (kJ/mol).
- ΔcH°solid: Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas: Ideal gas heat capacity (J/mol×K).
- Cp,solid: Solid phase heat capacity (J/mol×K).
- η: Dynamic viscosity (Pa×s).
- SProt: Protonation entropy at 298K (J/mol×K).
- 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).
- logPoct/wat: Octanol/Water partition coefficient.
- Pc: Critical Pressure (kPa).
- 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).
- Ttriple: Triple Point Temperature (K).
- Vc: Critical Volume (m3/kg-mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 856.40 | kJ/mol | NIST |
| ΔcH°solid | [-2867.00; -2847.90] | kJ/mol | 
|
| ΔcH°solid | -2847.90 ± 1.10 | kJ/mol | NIST |
| ΔcH°solid | -2850.60 ± 0.42 | kJ/mol | NIST |
| ΔcH°solid | -2867.00 | kJ/mol | NIST |
| ΔcH°solid | -2861.00 | kJ/mol | NIST |
| SProt | -15.00 | J/mol×K | NIST |
| ΔfG° | -187.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -284.70 ± 1.20 | kJ/mol | NIST |
| ΔfH°gas | -275.00 | kJ/mol | NIST |
| ΔfH°gas | -265.20 | kJ/mol | NIST |
| ΔfH°solid | -370.70 ± 1.10 | kJ/mol | NIST |
| ΔfH°solid | -368.00 ± 0.50 | kJ/mol | NIST |
| ΔfH°solid | -351.20 | kJ/mol | NIST |
| ΔfusH° | 17.29 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [86.00; 93.00] | kJ/mol |
|
| ΔsubH° | 86.00 ± 0.52 | kJ/mol | NIST |
| ΔsubH° | 86.00 | kJ/mol | NIST |
| ΔsubH° | 87.50 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 93.00 | kJ/mol | NIST |
| ΔvapH° | 78.40 ± 1.30 | kJ/mol | NIST |
| IE | 8.20 | eV | NIST |
| IE | 8.63 | eV | NIST |
| logPoct/wat | 1.098 | Crippen Calculated Property | |
| Pc | 7561.44 | kPa | Joback Calculated Property |
| Tboil | [451.20; 554.55] | K |
|
| Tboil | 550.00 | K | NIST |
| Tboil | 549.10 ± 0.40 | K | NIST |
| Tboil | 554.55 ± 0.50 | K | NIST |
| Tboil | 451.20 | K | NIST |
| Tc | 766.85 | K | Joback Calculated Property |
| Tfus | [381.00; 390.00] | K |
|
| Tfus | 382.60 ± 0.50 | K | NIST |
| Tfus | 384.00 | K | NIST |
| Tfus | 381.00 ± 1.00 | K | NIST |
| Tfus | 382.00 ± 1.00 | K | NIST |
| Tfus | 383.50 ± 0.30 | K | NIST |
| Tfus | Outlier 390.00 ± 1.50 | K | NIST |
| Tfus | 381.95 ± 0.50 | K | NIST |
| Ttriple | 383.54 ± 0.02 | K | NIST |
| Ttriple | 382.70 ± 0.20 | K | NIST |
| Ttriple | 382.80 ± 0.25 | K | NIST |
| Vc | 0.196 | m3/kg-mol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | 186.33 | J/mol×K | 519.62 | Joback Calculated Property |
| Cp,solid | [131.00; 151.00] | J/mol×K | [297.90; 323.00] |
|
 | ||||
| Cp,solid | 131.40 | J/mol×K | 297.9 | NIST |
| Cp,solid | 131.00 | J/mol×K | 298.0 | NIST |
| Cp,solid | 135.53 | J/mol×K | 298.15 | NIST |
| Cp,solid | 139.30 | J/mol×K | 298.15 | NIST |
| Cp,solid | 151.00 | J/mol×K | 323.0 | NIST |
| η | 0.0000251 | Pa×s | 519.62 | Joback Calculated Property |
| ΔfusH | 1.20 | kJ/mol | 366.8 | NIST |
| ΔfusH | 18.90 | kJ/mol | 382.6 | NIST |
| ΔsubH | [85.30; 95.00] | kJ/mol | [303.00; 353.50] |
|
 | ||||
| ΔsubH | 93.40 | kJ/mol | 303.0 | NIST |
| ΔsubH | 95.00 ± 1.00 | kJ/mol | 329.0 | NIST |
| ΔsubH | 93.00 ± 21.00 | kJ/mol | 329.5 | NIST |
| ΔsubH | 85.30 ± 0.50 | kJ/mol | 334.0 | NIST |
| ΔsubH | 92.30 | kJ/mol | 353.5 | NIST |
| ΔvapH | 74.30 | kJ/mol | 427.5 | NIST |
| ΔvapH | 74.30 | kJ/mol | 484.5 | NIST |
| ΔfusS | 3.27 | J/mol×K | 366.8 | NIST |
| ΔfusS | 49.41 | J/mol×K | 382.6 | NIST |
Molecular Descriptors
| Joback and Reid Groups | |
|---|---|
| =C< (ring) | 2 |
| -OH (phenol) | 2 |
| =CH- (ring) | 4 |
Similar Compounds
Find more compounds similar to Resorcinol.
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