- InChI
- InChI=1S/C14H26O2/c1-2-3-4-5-9-12-16-14(15)13-10-7-6-8-11-13/h13H,2-12H2,1H3
- InChI Key
- NUUQQOTYKFJRDX-UHFFFAOYSA-N
- Formula
- C14H26O2
- SMILES
- CCCCCCCOC(=O)C1CCCCC1
- Molecular Weight1
- 226.35
- CAS
- 92319-47-6
- Other Names
-
- heptyl cyclohexanecarboxylate
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -142.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -522.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.34 | kJ/mol | Joback Calculated Property |
| log10WS | -4.20 | Crippen Calculated Property | |
| logPoct/wat | 4.080 | Crippen Calculated Property | |
| McVol | 204.700 | ml/mol | McGowan Calculated Property |
| Pc | 1872.41 | kPa | Joback Calculated Property |
| Inp | [1606.09; 1609.01] |
|
|
| Inp | 1606.09 | NIST | |
| Inp | 1609.01 | NIST | |
| Inp | 1606.09 | NIST | |
| Tboil | 615.56 | K | Joback Calculated Property |
| Tc | 809.77 | K | Joback Calculated Property |
| Tfus | 327.08 | K | Joback Calculated Property |
| Vc | 0.776 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [559.97; 664.38] | J/mol×K | [615.56; 809.77] |
|
| Cp,gas | 559.97 | J/mol×K | 615.56 | Joback Calculated Property |
| Cp,gas | 579.88 | J/mol×K | 647.93 | Joback Calculated Property |
| Cp,gas | 598.76 | J/mol×K | 680.30 | Joback Calculated Property |
| Cp,gas | 616.63 | J/mol×K | 712.67 | Joback Calculated Property |
| Cp,gas | 633.51 | J/mol×K | 745.04 | Joback Calculated Property |
| Cp,gas | 649.42 | J/mol×K | 777.41 | Joback Calculated Property |
| Cp,gas | 664.38 | J/mol×K | 809.77 | Joback Calculated Property |
| η | [0.0001630; 0.0034050] | Pa×s | [327.08; 615.56] |
|
| η | 0.0034050 | Pa×s | 327.08 | Joback Calculated Property |
| η | 0.0014830 | Pa×s | 375.16 | Joback Calculated Property |
| η | 0.0007802 | Pa×s | 423.24 | Joback Calculated Property |
| η | 0.0004679 | Pa×s | 471.32 | Joback Calculated Property |
| η | 0.0003085 | Pa×s | 519.40 | Joback Calculated Property |
| η | 0.0002182 | Pa×s | 567.48 | Joback Calculated Property |
| η | 0.0001630 | Pa×s | 615.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, heptyl ester.
Sources
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