- InChI
- InChI=1S/C10H18O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
- InChI Key
- PMQZNGSMBAGPRU-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- CC(C)OC(=O)C1CCCCC1
- Molecular Weight1
- 170.25
- CAS
- 6553-80-6
- Other Names
-
- Cyclohexanecarboxylic acid, 1-methylethyl ester
- isopropyl cyclohexanecarboxylate
- 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 | 0.4297 | Relay (1.0) Calculated Property | |
| ΔfG° | -178.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -528.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 148.340 | ml/mol | McGowan Calculated Property |
| Pc | 2715.50 | kPa | Joback Calculated Property |
| Tboil | 461.89 | K | Relay (1.0) Calculated Property |
| Tc | 686.64 | K | Relay (1.0) Calculated Property |
| Tfus | 256.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.539 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [355.54; 451.55] | J/mol×K | [523.60; 733.51] | 
|
| Cp,gas | 355.54 | J/mol×K | 523.60 | Joback Calculated Property |
| Cp,gas | 373.86 | J/mol×K | 558.58 | Joback Calculated Property |
| Cp,gas | 391.23 | J/mol×K | 593.57 | Joback Calculated Property |
| Cp,gas | 407.67 | J/mol×K | 628.55 | Joback Calculated Property |
| Cp,gas | 423.20 | J/mol×K | 663.54 | Joback Calculated Property |
| Cp,gas | 437.82 | J/mol×K | 698.52 | Joback Calculated Property |
| Cp,gas | 451.55 | J/mol×K | 733.51 | Joback Calculated Property |
| η | [0.0002279; 0.0060058] | Pa×s | [267.00; 523.60] |
|
| η | 0.0060058 | Pa×s | 267.00 | Joback Calculated Property |
| η | 0.0023895 | Pa×s | 309.77 | Joback Calculated Property |
| η | 0.0011889 | Pa×s | 352.53 | Joback Calculated Property |
| η | 0.0006880 | Pa×s | 395.30 | Joback Calculated Property |
| η | 0.0004430 | Pa×s | 438.07 | Joback Calculated Property |
| η | 0.0003085 | Pa×s | 480.83 | Joback Calculated Property |
| η | 0.0002279 | Pa×s | 523.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid isopropyl ester.
Sources
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