- InChI
- InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+
- InChI Key
- PFURGBBHAOXLIO-OLQVQODUSA-N
- Formula
- C6H12O2
- SMILES
- OC1CCCCC1O
- Molecular Weight1
- 116.16
- CAS
- 1792-81-0
- Other Names
-
- 1,2-Cyclohexanediol, (Z)-
- 1,2-cyclohexanediol, cis-
- Grandidentol
- cis-1,2-Dihydroxycyclohexane
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 | [-3521.00; -3516.00] | kJ/mol |
|
| ΔcH°solid | -3521.00 | kJ/mol | NIST |
| ΔcH°solid | -3516.00 ± 0.40 | 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 | 371.15 ± 1.00 | 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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 240 250 260 270 280 290 300 550 600 650 700 | ||||
| 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 | [89.60; 192.50] | J/mol×K | [174.30; 350.20] |
|
|
T(K) Solid phase heat capacity (J/mol×K) 80 100 120 140 160 180 200 200 250 300 350 | ||||
| Cp,solid | 89.60 | J/mol×K | 174.30 | molar h... |
| Cp,solid | 92.70 | J/mol×K | 185.20 | molar h... |
| Cp,solid | 100.00 | J/mol×K | 193.10 | molar h... |
| Cp,solid | 101.10 | J/mol×K | 202.20 | molar h... |
| Cp,solid | 111.00 | J/mol×K | 215.90 | molar h... |
| Cp,solid | 121.10 | J/mol×K | 230.10 | molar h... |
| Cp,solid | 127.30 | J/mol×K | 248.10 | molar h... |
| Cp,solid | 134.90 | J/mol×K | 259.20 | molar h... |
| Cp,solid | 138.20 | J/mol×K | 266.20 | molar h... |
| Cp,solid | 141.40 | J/mol×K | 273.10 | molar h... |
| Cp,solid | 148.80 | J/mol×K | 278.20 | molar h... |
| Cp,solid | 151.10 | J/mol×K | 283.00 | molar h... |
| Cp,solid | 152.00 | J/mol×K | 288.20 | molar h... |
| Cp,solid | 154.20 | J/mol×K | 288.20 | molar h... |
| Cp,solid | 157.80 | J/mol×K | 293.20 | molar h... |
| Cp,solid | 157.60 | J/mol×K | 293.20 | molar h... |
| Cp,solid | 160.40 | J/mol×K | 298.10 | molar h... |
| Cp,solid | 162.00 | J/mol×K | 300.20 | molar h... |
| Cp,solid | 163.90 | J/mol×K | 300.20 | molar h... |
| Cp,solid | 168.00 | J/mol×K | 308.20 | molar h... |
| Cp,solid | 166.40 | J/mol×K | 308.20 | molar h... |
| Cp,solid | 171.90 | J/mol×K | 316.00 | molar h... |
| Cp,solid | 175.00 | J/mol×K | 323.30 | molar h... |
| Cp,solid | 177.20 | J/mol×K | 328.20 | molar h... |
| Cp,solid | 180.80 | J/mol×K | 333.20 | molar h... |
| Cp,solid | 184.30 | J/mol×K | 339.20 | molar h... |
| Cp,solid | 186.20 | J/mol×K | 344.10 | molar h... |
| Cp,solid | 190.00 | J/mol×K | 346.30 | molar h... |
| Cp,solid | 191.80 | J/mol×K | 348.10 | molar h... |
| Cp,solid | 192.50 | J/mol×K | 350.20 | molar h... |
| η | [0.0000802; 0.0909733] | Pa×s | [282.16; 535.92] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 0.02 0.04 0.06 0.08 0.1 300 400 500 | ||||
| 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 | [3.30; 20.27] | kJ/mol | [360.40; 373.20] |
|
|
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 5 10 15 20 365 370 | ||||
| ΔfusH | 19.89 | kJ/mol | 360.40 | NIST |
| ΔfusH | 3.30 | kJ/mol | 371.60 | NIST |
| ΔfusH | 3.32 | kJ/mol | 371.60 | NIST |
| ΔfusH | 3.32 | kJ/mol | 371.60 | NIST |
| ΔfusH | 20.27 | kJ/mol | 373.20 | NIST |
| ΔsubH | 43.70 | kJ/mol | 304.50 | NIST |
| ΔfusS | [8.93; 55.19] | J/mol×K | [360.40; 371.60] |
|
| ΔfusS | 55.19 | J/mol×K | 360.40 | NIST |
| ΔfusS | 8.93 | J/mol×K | 371.60 | NIST |
Similar Compounds
Find more compounds similar to cis-1,2-Cyclohexanediol.
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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