- InChI
- InChI=1S/C10H12O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9-12H,5-6H2/t9-,10-/m0/s1
- InChI Key
- DHTGPMXCRKCPTP-UWVGGRQHSA-N
- Formula
- C10H12O2
- SMILES
- OC1Cc2ccccc2CC1O
- Molecular Weight1
- 164.20
- CAS
- 35583-16-5
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 |
|---|---|---|---|
| ΔcH°solid | -5223.30 ± 0.80 | kJ/mol | NIST |
| ΔfH°gas | -244.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.507 | Crippen Calculated Property | |
| McVol | 128.880 | ml/mol | McGowan Calculated Property |
| Pc | 4130.29 | kPa | Joback Calculated Property |
| Tboil | 581.93 | K | Relay (1.0) Calculated Property |
| Tc | 810.78 | K | Relay (1.0) Calculated Property |
| Tfus | 415.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.467 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.85; 439.19] | 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 | -6.46500e+01 | |||
| Coefficient B | 9.98200e-01 | |||
| Coefficient C | -6.63560e-04 | |||
| Coefficient D | 1.69200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 212.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 257.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 296.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 330.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 359.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 384.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 405.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 423.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 439.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0052728; 0.0000851] | Pa×s | [373.22; 595.78] |
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 | -1.62929e+01 | |||
| Coefficient B | 4.12322e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 373.22 | |||
| Temperature range, max. | 595.78 | |||
| η | 0.0052728 | Pa×s | 373.22 | Calculated Property |
| η | 0.0026539 | Pa×s | 397.95 | Calculated Property |
| η | 0.0014475 | Pa×s | 422.68 | Calculated Property |
| η | 0.0008442 | Pa×s | 447.41 | Calculated Property |
| η | 0.0005210 | Pa×s | 472.14 | Calculated Property |
| η | 0.0003373 | Pa×s | 496.87 | Calculated Property |
| η | 0.0002276 | Pa×s | 521.60 | Calculated Property |
| η | 0.0001591 | Pa×s | 546.32 | Calculated Property |
| η | 0.0001148 | Pa×s | 571.05 | Calculated Property |
| η | 0.0000851 | Pa×s | 595.78 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3,4-Tetrahydronaphthalene-trans-2,3-diol.
Sources
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