- InChI
- InChI=1S/C14H19ClO2/c1-9(2)13(10(3)4)17-14(16)11-6-5-7-12(15)8-11/h5-10,13H,1-4H3
- InChI Key
- NVRCYPVMPDPSNP-UHFFFAOYSA-N
- Formula
- C14H19ClO2
- SMILES
-
CC(C)C(OC(=O)c1cccc(Cl)c1)C(C)
C - Molecular Weight1
- 254.75
- 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.
- 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 | 0.5937 | Relay (1.0) Calculated Property | |
| ΔfG° | -83.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -447.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.177 | Crippen Calculated Property | |
| McVol | 204.040 | ml/mol | McGowan Calculated Property |
| Pc | 2041.91 | kPa | Joback Calculated Property |
| Inp | 1677.00 | NIST | |
| Tboil | 567.78 | K | Relay (1.0) Calculated Property |
| Tc | 769.68 | K | Relay (1.0) Calculated Property |
| Tfus | 295.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.718 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.31; 606.14] | J/mol×K | [663.78; 880.10] | 
|
| Cp,gas | 524.31 | J/mol×K | 663.78 | Joback Calculated Property |
| Cp,gas | 540.41 | J/mol×K | 699.83 | Joback Calculated Property |
| Cp,gas | 555.49 | J/mol×K | 735.89 | Joback Calculated Property |
| Cp,gas | 569.57 | J/mol×K | 771.94 | Joback Calculated Property |
| Cp,gas | 582.69 | J/mol×K | 808.00 | Joback Calculated Property |
| Cp,gas | 594.87 | J/mol×K | 844.05 | Joback Calculated Property |
| Cp,gas | 606.14 | J/mol×K | 880.10 | Joback Calculated Property |
| η | [0.0001117; 0.0026821] | Pa×s | [343.56; 663.78] |
|
| η | 0.0026821 | Pa×s | 343.56 | Joback Calculated Property |
| η | 0.0011058 | Pa×s | 396.93 | Joback Calculated Property |
| η | 0.0005625 | Pa×s | 450.30 | Joback Calculated Property |
| η | 0.0003302 | Pa×s | 503.67 | Joback Calculated Property |
| η | 0.0002146 | Pa×s | 557.04 | Joback Calculated Property |
| η | 0.0001505 | Pa×s | 610.41 | Joback Calculated Property |
| η | 0.0001117 | Pa×s | 663.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dimethylpentan-3-yl 3-chlorobenzoate.
Sources
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