- InChI
- InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
- InChI Key
- ZQWPRMPSCMSAJU-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- COC(=O)C1CCCCC1
- Molecular Weight1
- 142.20
- CAS
- 4630-82-4
- Other Names
-
- Hexahydrobenzoic acid methyl ester
- Methyl cyclohexanecarboxylate
- Methyl cyclohexanoate
- Methyl cyclohexylcarboxylate
- Methyl ester of cyclohexanecarboxylic acid
- c-C6H11COOCH3
- 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).
- 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 | 846.20 | kJ/mol | NIST |
| BasG | 815.30 | kJ/mol | NIST |
| ΔfG° | -192.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -398.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.99 | kJ/mol | Joback Calculated Property |
| log10WS | -1.69 | Crippen Calculated Property | |
| logPoct/wat | 1.740 | Crippen Calculated Property | |
| McVol | 120.160 | ml/mol | McGowan Calculated Property |
| Pc | 3322.01 | kPa | Joback Calculated Property |
| Inp | [1005.00; 1057.00] |
|
|
| Inp | 1005.17 | NIST | |
| Inp | 1009.57 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 1056.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1005.17 | NIST | |
| Inp | 1011.00 | NIST | |
| I | [1373.00; 1414.00] |
|
|
| I | 1385.00 | NIST | |
| I | 1399.00 | NIST | |
| I | 1414.00 | NIST | |
| I | 1373.00 | NIST | |
| I | 1384.00 | NIST | |
| I | 1385.00 | NIST | |
| Tboil | [456.20; 456.20] | K |
|
| Tboil | 456.20 | K | NIST |
| Tboil | 456.20 ± 1.00 | K | NIST |
| Tc | 689.84 | K | Joback Calculated Property |
| Tfus | 259.46 | K | Joback Calculated Property |
| Vc | 0.441 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.26; 348.27] | J/mol×K | [478.28; 689.84] |
|
| Cp,gas | 263.26 | J/mol×K | 478.28 | Joback Calculated Property |
| Cp,gas | 279.37 | J/mol×K | 513.54 | Joback Calculated Property |
| Cp,gas | 294.69 | J/mol×K | 548.80 | Joback Calculated Property |
| Cp,gas | 309.24 | J/mol×K | 584.06 | Joback Calculated Property |
| Cp,gas | 323.01 | J/mol×K | 619.32 | Joback Calculated Property |
| Cp,gas | 336.02 | J/mol×K | 654.58 | Joback Calculated Property |
| Cp,gas | 348.27 | J/mol×K | 689.84 | Joback Calculated Property |
| η | [0.0002788; 0.0043366] | Pa×s | [259.46; 478.28] |
|
| η | 0.0043366 | Pa×s | 259.46 | Joback Calculated Property |
| η | 0.0020707 | Pa×s | 295.93 | Joback Calculated Property |
| η | 0.0011629 | Pa×s | 332.40 | Joback Calculated Property |
| η | 0.0007320 | Pa×s | 368.87 | Joback Calculated Property |
| η | 0.0005008 | Pa×s | 405.34 | Joback Calculated Property |
| η | 0.0003648 | Pa×s | 441.81 | Joback Calculated Property |
| η | 0.0002788 | Pa×s | 478.28 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 346.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, methyl ester.
Sources
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