- InChI
- InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
- InChI Key
- PFURGBBHAOXLIO-PHDIDXHHSA-N
- Formula
- C6H12O2
- SMILES
- OC1CCCCC1O
- Molecular Weight1
- 116.16
- CAS
- 1460-57-7
- Other Names
-
- (1R,2R)-1,2-cyclohexanediol
- 1,2-Cyclohexanediol, (E)-
- 1,2-trans-Cyclohexanediol
- trans-1,2-Cyclohexanediol
- trans-1,2-Dihydroxycyclohexane
- trans-cyclohexane-1,2-diol
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6002 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3520.00 ± 0.80 | kJ/mol | NIST |
| ΔfG° | -257.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -405.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.282 | Crippen Calculated Property | |
| McVol | 96.280 | ml/mol | McGowan Calculated Property |
| Pc | 4835.95 | kPa | Joback Calculated Property |
| Tboil | 501.46 | K | Relay (1.0) Calculated Property |
| Tc | 707.59 | K | Relay (1.0) Calculated Property |
| Tfus | [376.40; 381.00] | K |
|
| Tfus | 381.00 | K | A Novel Co-crystal of (R,R)-1,2-Cyclohexanediol with (R,R)-Tartaric Acid, a Key Structure for Resolution of the Racemic (+-)-trans-Diol in Supercritical Carbon Dioxide, and the Binary Melting Phase Relations. |
| Tfus | 376.40 | K | Solid-Liquid Equilibria of the trans-1,2-Cyclohexanediol + Ethyl Acetate + Water Ternary System |
| Tfus | 376.65 ± 1.50 | K | NIST |
Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.23; 300.56] | J/mol×K | [535.92; 720.36] |
|
| Cp,gas | 241.23 | J/mol×K | 535.92 | Joback Calculated Property |
| Cp,gas | 252.43 | J/mol×K | 566.66 | Joback Calculated Property |
| Cp,gas | 263.09 | J/mol×K | 597.40 | Joback Calculated Property |
| Cp,gas | 273.22 | J/mol×K | 628.14 | Joback Calculated Property |
| Cp,gas | 282.84 | J/mol×K | 658.88 | Joback Calculated Property |
| Cp,gas | 291.95 | J/mol×K | 689.62 | Joback Calculated Property |
| Cp,gas | 300.56 | J/mol×K | 720.36 | Joback Calculated Property |
| η | [0.0000802; 0.0909733] | Pa×s | [282.16; 535.92] |
|
| η | 0.0909733 | Pa×s | 282.16 | Joback Calculated Property |
| η | 0.0131225 | Pa×s | 324.45 | Joback Calculated Property |
| η | 0.0029585 | Pa×s | 366.75 | Joback Calculated Property |
| η | 0.0009076 | Pa×s | 409.04 | Joback Calculated Property |
| η | 0.0003475 | Pa×s | 451.33 | Joback Calculated Property |
| η | 0.0001568 | Pa×s | 493.63 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 535.92 | Joback Calculated Property |
| ΔfusH | [16.37; 21.00] | kJ/mol | [372.30; 382.60] |
|
| ΔfusH | 18.51 | kJ/mol | 372.30 | NIST |
| ΔfusH | 18.51 | kJ/mol | 372.30 | NIST |
| ΔfusH | 16.37 | kJ/mol | 375.70 | NIST |
| ΔfusH | 21.00 | kJ/mol | 382.60 | NIST |
| ΔsubH | [42.50; 85.90] | kJ/mol | [304.50; 343.00] |
|
| ΔsubH | 42.50 | kJ/mol | 304.50 | NIST |
| ΔsubH | 85.90 ± 1.40 | kJ/mol | 343.00 | NIST |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanediol, trans-.
Mixtures
- 1,2-Cyclohexanediol, trans- + Water
- 1,2-Cyclohexanediol, trans- + Ethyl Acetate
- 1,2-Cyclohexanediol, trans- + Ethyl Acetate + Water
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- A Novel Co-crystal of (R,R)-1,2-Cyclohexanediol with (R,R)-Tartaric Acid, a Key Structure for Resolution of the Racemic (+-)-trans-Diol in Supercritical Carbon Dioxide, and the Binary Melting Phase Relations.
- Solid-Liquid Equilibria of the trans-1,2-Cyclohexanediol + Ethyl Acetate + Water Ternary System
- Joback Method
- McGowan Method
- NIST Webbook
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