- 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
- 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).
- 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).
- 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 | -3520.00 ± 0.80 | kJ/mol | NIST |
| ΔfG° | -257.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.43 | kJ/mol | Joback Calculated Property |
| log10WS | -0.98 | Crippen 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 | 535.92 | K | Joback Calculated Property |
| Tc | 720.36 | K | Joback Calculated Property |
| Tfus | [376.40; 381.00] | K |
|
| Tfus | 381.00 | K | A Novel... |
| Tfus | 376.40 | K | Solid-L... |
| Tfus | 376.65 ± 1.50 | K | NIST |
| Vc | 0.342 | m3/kmol | Joback Calculated Property |
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
- 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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