- InChI
- InChI=1S/C9H16O2/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,11)
- InChI Key
- HJZLEGIHUQOJBA-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- O=C(O)CCC1CCCCC1
- Molecular Weight1
- 156.23
- Other Names
-
- 3-Cyclohexanepropionic acid
- 3-Cyclohexylpropanoic acid
- 3-Cyclohexylpropionic acid
- Cyclohexanepropanoic acid
- Cyclohexylpropionic acid
- «beta»-Cyclohexylpropionic acid
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6635 | Relay (1.0) Calculated Property | |
| ΔfG° | -294.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.432 | Crippen Calculated Property | |
| McVol | 134.250 | ml/mol | McGowan Calculated Property |
| Pc | 3127.99 | kPa | Joback Calculated Property |
| Tboil | 549.70 | K | NIST |
| Tc | 756.47 | K | Relay (1.0) Calculated Property |
| Tfus | 289.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.464 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.91; 479.50] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.62980e+01 | |||
| Coefficient B | 1.03170e+00 | |||
| Coefficient C | -6.19400e-04 | |||
| Coefficient D | 1.33500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 171.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 227.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 276.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 319.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 356.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 389.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 417.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 441.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 462.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 479.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0084619; 0.0002905] | Pa×s | [289.15; 551.09] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.18657e+01 | |||
| Coefficient B | 2.05109e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 289.15 | |||
| Temperature range, max. | 551.09 | |||
| η | 0.0084619 | Pa×s | 289.15 | Calculated Property |
| η | 0.0044232 | Pa×s | 318.25 | Calculated Property |
| η | 0.0025776 | Pa×s | 347.36 | Calculated Property |
| η | 0.0016329 | Pa×s | 376.46 | Calculated Property |
| η | 0.0011045 | Pa×s | 405.57 | Calculated Property |
| η | 0.0007872 | Pa×s | 434.67 | Calculated Property |
| η | 0.0005855 | Pa×s | 463.78 | Calculated Property |
| η | 0.0004509 | Pa×s | 492.88 | Calculated Property |
| η | 0.0003575 | Pa×s | 521.99 | Calculated Property |
| η | 0.0002905 | Pa×s | 551.09 | Calculated Property |
Similar Compounds
Find more compounds similar to CYCLOHEXANEPROPIONIC ACID.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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