- InChI
- InChI=1S/C14H19ClO2/c1-2-3-4-5-6-10-17-14(16)12-8-7-9-13(15)11-12/h7-9,11H,2-6,10H2,1H3
- InChI Key
- BJVCNNYBXULVBS-UHFFFAOYSA-N
- Formula
- C14H19ClO2
- SMILES
- CCCCCCCOC(=O)c1cccc(Cl)c1
- Molecular Weight1
- 254.75
- Other Names
-
- Benzoic acid, 3-chloro, heptyl ester
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ω | 0.7233 | Relay (... Calculated Property | |
| ΔfG° | -76.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -442.43 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.03 | kJ/mol | Relay (... Calculated Property |
| IE | 9.19 | eV | Relay (... Calculated Property |
| log10WS | -5.64 | Relay (... Calculated Property | |
| logPoct/wat | 4.467 | Crippen Calculated Property | |
| McVol | 204.040 | ml/mol | McGowan Calculated Property |
| Pc | 1998.33 | kPa | Joback Calculated Property |
| Inp | [1812.00; 1862.00] |
|
|
| Inp | 1822.00 | NIST | |
| Inp | 1812.00 | NIST | |
| Inp | 1822.00 | NIST | |
| Inp | 1831.00 | NIST | |
| Inp | 1862.00 | NIST | |
| Inp | 1834.00 | NIST | |
| Inp | 1814.00 | NIST | |
| Inp | 1827.00 | NIST | |
| Inp | 1862.00 | NIST | |
| Inp | 1822.00 | NIST | |
| I | [2334.00; 2392.00] |
|
|
| I | 2365.00 | NIST | |
| I | 2354.00 | NIST | |
| I | 2365.00 | NIST | |
| I | 2392.00 | NIST | |
| I | 2370.00 | NIST | |
| I | 2334.00 | NIST | |
| I | 2353.00 | NIST | |
| I | 2370.00 | NIST | |
| I | 2365.00 | NIST | |
| Tboil | 586.16 | K | Relay (... Calculated Property |
| Tc | 783.68 | K | Relay (... Calculated Property |
| Tfus | 265.98 | K | Relay (... Calculated Property |
| Vc | 0.757 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.84; 600.85] | J/mol×K | [665.10; 869.77] |
|
| Cp,gas | 522.84 | J/mol×K | 665.10 | Joback Calculated Property |
| Cp,gas | 537.98 | J/mol×K | 699.21 | Joback Calculated Property |
| Cp,gas | 552.23 | J/mol×K | 733.32 | Joback Calculated Property |
| Cp,gas | 565.61 | J/mol×K | 767.43 | Joback Calculated Property |
| Cp,gas | 578.16 | J/mol×K | 801.55 | Joback Calculated Property |
| Cp,gas | 589.90 | J/mol×K | 835.66 | Joback Calculated Property |
| Cp,gas | 600.85 | J/mol×K | 869.77 | Joback Calculated Property |
| η | [0.0001398; 0.0013958] | Pa×s | [388.56; 665.10] |
|
| η | 0.0013958 | Pa×s | 388.56 | Joback Calculated Property |
| η | 0.0007761 | Pa×s | 434.65 | Joback Calculated Property |
| η | 0.0004830 | Pa×s | 480.74 | Joback Calculated Property |
| η | 0.0003266 | Pa×s | 526.83 | Joback Calculated Property |
| η | 0.0002352 | Pa×s | 572.92 | Joback Calculated Property |
| η | 0.0001778 | Pa×s | 619.01 | Joback Calculated Property |
| η | 0.0001398 | Pa×s | 665.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptyl 3-chlorobenzoate.
Sources
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