- InChI
- InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
- InChI Key
- NZNMSOFKMUBTKW-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- O=C(O)C1CCCCC1
- Molecular Weight1
- 128.17
- CAS
- 98-89-5
- Other Names
-
- Benzoic acid, hexahydro-
- Carboxycyclohexane
- Cyclohexylcarboxylic acid
- Cyclohexylmethanoic acid
- Hexahydrobenzoic acid
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 823.80 | kJ/mol | NIST |
| BasG | 792.80 | kJ/mol | NIST |
| ΔcH°solid | -3883.70 ± 0.30 | kJ/mol | NIST |
| ΔfG° | -233.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -398.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.03 | kJ/mol | Joback Calculated Property |
| log10WS | -1.45 | Aq. Sol... | |
| logPoct/wat | 1.651 | Crippen Calculated Property | |
| McVol | 106.070 | ml/mol | McGowan Calculated Property |
| Pc | 4271.86 | kPa | Joback Calculated Property |
| Inp | [1127.00; 1157.00] |
|
|
| Inp | 1127.00 | NIST | |
| Inp | 1157.00 | NIST | |
| I | [2050.00; 2117.00] |
|
|
| I | 2117.00 | NIST | |
| I | 2084.00 | NIST | |
| I | 2050.00 | NIST | |
| I | 2053.00 | NIST | |
| Tboil | [505.70; 505.70] | K |
|
| Tboil | 505.70 | K | NIST |
| Tboil | 505.70 ± 1.00 | K | NIST |
| Tc | 727.55 | K | Joback Calculated Property |
| Tfus | [298.50; 304.00] | K |
|
| Tfus | 304.00 ± 4.00 | K | NIST |
| Tfus | 298.50 ± 0.50 | K | NIST |
| Tfus | 302.00 ± 2.00 | K | NIST |
| Vc | 0.386 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.99; 317.07] | J/mol×K | [525.16; 727.55] |
|
| Cp,gas | 249.99 | J/mol×K | 525.16 | Joback Calculated Property |
| Cp,gas | 262.88 | J/mol×K | 558.89 | Joback Calculated Property |
| Cp,gas | 275.06 | J/mol×K | 592.62 | Joback Calculated Property |
| Cp,gas | 286.55 | J/mol×K | 626.36 | Joback Calculated Property |
| Cp,gas | 297.37 | J/mol×K | 660.09 | Joback Calculated Property |
| Cp,gas | 307.54 | J/mol×K | 693.82 | Joback Calculated Property |
| Cp,gas | 317.07 | J/mol×K | 727.55 | Joback Calculated Property |
| η | [0.0050700; 0.0132000] | Pa×s | [310.00; 340.00] |
|
| η | 0.0132000 | Pa×s | 310.00 | Tempera... |
| η | 0.0092600 | Pa×s | 320.00 | Tempera... |
| η | 0.0067600 | Pa×s | 330.00 | Tempera... |
| η | 0.0050700 | Pa×s | 340.00 | Tempera... |
| ΔfusH | 9.20 | kJ/mol | 301.90 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 393.70 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid.
Mixtures
Sources
- Crippen Method
- Solubility of fragrance raw materials in water: Experimental study, correlations, and Mod. UNIFAC (Do) predictions
- Temperature and composition dependence of the density and viscosity of binary mixtures of (1-decanol + fragrance material)
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.