- InChI
- InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2/t5-,6-
- InChI Key
- VKONPUDBRVKQLM-IZLXSQMJSA-N
- Formula
- C6H12O2
- SMILES
- OC1CCC(O)CC1
- Molecular Weight1
- 116.16
- CAS
- 6995-79-5
- Other Names
-
- 1,4-Cyclohexanediol, (E)-
- trans-1,4-Dihydroxycyclohexane
- trans-1,4-cyclohexanediol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- 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 |
|---|---|---|---|
| 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 | 383.15 ± 2.00 | 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 |
| Cp,solid | [100.60; 198.00] | J/mol×K | [176.50; 373.20] |
|
| Cp,solid | 100.60 | J/mol×K | 176.50 | molar h... |
| Cp,solid | 105.60 | J/mol×K | 183.20 | molar h... |
| Cp,solid | 109.50 | J/mol×K | 189.10 | molar h... |
| Cp,solid | 115.40 | J/mol×K | 198.90 | molar h... |
| Cp,solid | 115.60 | J/mol×K | 206.90 | molar h... |
| Cp,solid | 121.00 | J/mol×K | 215.00 | molar h... |
| Cp,solid | 124.60 | J/mol×K | 222.20 | molar h... |
| Cp,solid | 127.30 | J/mol×K | 230.20 | molar h... |
| Cp,solid | 135.40 | J/mol×K | 238.30 | molar h... |
| Cp,solid | 142.20 | J/mol×K | 258.30 | molar h... |
| Cp,solid | 145.60 | J/mol×K | 273.20 | molar h... |
| Cp,solid | 148.80 | J/mol×K | 278.10 | molar h... |
| Cp,solid | 150.60 | J/mol×K | 278.10 | molar h... |
| Cp,solid | 149.00 | J/mol×K | 278.10 | molar h... |
| Cp,solid | 151.00 | J/mol×K | 283.20 | molar h... |
| Cp,solid | 151.10 | J/mol×K | 283.20 | molar h... |
| Cp,solid | 154.00 | J/mol×K | 288.20 | molar h... |
| Cp,solid | 156.40 | J/mol×K | 293.20 | molar h... |
| Cp,solid | 157.40 | J/mol×K | 293.20 | molar h... |
| Cp,solid | 167.00 | J/mol×K | 303.20 | molar h... |
| Cp,solid | 168.10 | J/mol×K | 308.10 | molar h... |
| Cp,solid | 169.90 | J/mol×K | 308.10 | molar h... |
| Cp,solid | 173.00 | J/mol×K | 313.20 | molar h... |
| Cp,solid | 174.00 | J/mol×K | 323.30 | molar h... |
| Cp,solid | 177.40 | J/mol×K | 333.10 | molar h... |
| Cp,solid | 181.40 | J/mol×K | 343.20 | molar h... |
| Cp,solid | 183.90 | J/mol×K | 343.20 | molar h... |
| Cp,solid | 187.10 | J/mol×K | 353.10 | molar h... |
| Cp,solid | 190.50 | J/mol×K | 363.20 | molar h... |
| Cp,solid | 198.00 | J/mol×K | 373.20 | molar h... |
| 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 |
Similar Compounds
Find more compounds similar to 1,4-Cyclohexanediol, trans-.
Sources
- Crippen Method
- Crippen Method
- molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
- Joback Method
- McGowan Method
- NIST Webbook
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