- InChI
- InChI=1S/C12H15ClO2/c1-12(2,3)8-15-11(14)9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3
- InChI Key
- HKBVGVISHWBWGQ-UHFFFAOYSA-N
- Formula
- C12H15ClO2
- SMILES
- CC(C)(C)COC(=O)c1cccc(Cl)c1
- Molecular Weight1
- 226.70
- CAS
- 343775-31-5
- Other Names
-
- 3-Chlorobenzoic acid, neopentyl ester
- 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° | -90.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -335.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.49 | kJ/mol | Joback Calculated Property |
| log10WS | -3.83 | Crippen Calculated Property | |
| logPoct/wat | 3.543 | Crippen Calculated Property | |
| McVol | 175.860 | ml/mol | McGowan Calculated Property |
| Pc | 2436.25 | kPa | Joback Calculated Property |
| Inp | [1536.00; 1537.00] |
|
|
| Inp | 1536.00 | NIST | |
| Inp | 1537.00 | NIST | |
| Tboil | 616.11 | K | Joback Calculated Property |
| Tc | 839.48 | K | Joback Calculated Property |
| Tfus | 368.44 | K | Joback Calculated Property |
| Vc | 0.661 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [424.66; 498.71] | J/mol×K | [616.11; 839.48] |
|
| Cp,gas | 424.66 | J/mol×K | 616.11 | Joback Calculated Property |
| Cp,gas | 439.36 | J/mol×K | 653.34 | Joback Calculated Property |
| Cp,gas | 453.06 | J/mol×K | 690.57 | Joback Calculated Property |
| Cp,gas | 465.80 | J/mol×K | 727.79 | Joback Calculated Property |
| Cp,gas | 477.62 | J/mol×K | 765.02 | Joback Calculated Property |
| Cp,gas | 488.58 | J/mol×K | 802.25 | Joback Calculated Property |
| Cp,gas | 498.71 | J/mol×K | 839.48 | Joback Calculated Property |
| η | [0.0001528; 0.0016900] | Pa×s | [368.44; 616.11] |
|
| η | 0.0016900 | Pa×s | 368.44 | Joback Calculated Property |
| η | 0.0009254 | Pa×s | 409.72 | Joback Calculated Property |
| η | 0.0005657 | Pa×s | 451.00 | Joback Calculated Property |
| η | 0.0003756 | Pa×s | 492.27 | Joback Calculated Property |
| η | 0.0002657 | Pa×s | 533.55 | Joback Calculated Property |
| η | 0.0001975 | Pa×s | 574.83 | Joback Calculated Property |
| η | 0.0001528 | Pa×s | 616.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Neopentyl 3-chlorobenzoate.
Sources
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