- InChI
- InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2/t5-,6-/m1/s1
- InChI Key
- RLMGYIOTPQVQJR-PHDIDXHHSA-N
- Formula
- C6H12O2
- SMILES
- OC1CCCC(O)C1
- Molecular Weight1
- 116.16
- CAS
- 5515-64-0
- Other Names
-
- 1,3-Cyclohexanediol, (E)-
- trans-1,3-Cyclohexanol
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- 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 |
|---|---|---|---|
| PAff | 828.60 | kJ/mol | NIST |
| BasG | 797.90 | 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 | 282.16 | K | Joback Calculated Property |
| 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 |
Similar Compounds
Find more compounds similar to 1,3-Cyclohexanediol, trans-.
Sources
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