- InChI
- InChI=1S/C17H23ClO4/c1-13(2)12-21-16(19)10-4-3-5-11-17(20)22-15-9-7-6-8-14(15)18/h6-9,13H,3-5,10-12H2,1-2H3
- InChI Key
- OKQMKVVIKPMEQW-UHFFFAOYSA-N
- Formula
- C17H23ClO4
- SMILES
-
CC(C)COC(=O)CCCCCC(=O)Oc1ccccc
1Cl - Molecular Weight1
- 326.81
- 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 | 0.8637 | Relay (1.0) Calculated Property | |
| ΔfG° | -287.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -812.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.395 | Crippen Calculated Property | |
| McVol | 253.750 | ml/mol | McGowan Calculated Property |
| Pc | 1637.78 | kPa | Joback Calculated Property |
| Inp | [2333.00; 2333.00] |
|
|
| Inp | 2333.00 | NIST | |
| Inp | 2333.00 | NIST | |
| Tboil | 609.88 | K | Relay (1.0) Calculated Property |
| Tc | 827.56 | K | Relay (1.0) Calculated Property |
| Tfus | 306.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.940 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [731.89; 803.02] | J/mol×K | [809.59; 1016.62] |
|
| Cp,gas | 731.89 | J/mol×K | 809.59 | Joback Calculated Property |
| Cp,gas | 746.34 | J/mol×K | 844.09 | Joback Calculated Property |
| Cp,gas | 759.73 | J/mol×K | 878.60 | Joback Calculated Property |
| Cp,gas | 772.07 | J/mol×K | 913.10 | Joback Calculated Property |
| Cp,gas | 783.39 | J/mol×K | 947.61 | Joback Calculated Property |
| Cp,gas | 793.70 | J/mol×K | 982.11 | Joback Calculated Property |
| Cp,gas | 803.02 | J/mol×K | 1016.62 | Joback Calculated Property |
| η | [0.0000663; 0.0007413] | Pa×s | [479.53; 809.59] |
|
| η | 0.0007413 | Pa×s | 479.53 | Joback Calculated Property |
| η | 0.0004031 | Pa×s | 534.54 | Joback Calculated Property |
| η | 0.0002455 | Pa×s | 589.55 | Joback Calculated Property |
| η | 0.0001628 | Pa×s | 644.56 | Joback Calculated Property |
| η | 0.0001151 | Pa×s | 699.57 | Joback Calculated Property |
| η | 0.0000857 | Pa×s | 754.58 | Joback Calculated Property |
| η | 0.0000663 | Pa×s | 809.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 2-chlorophenyl isobutyl ester.
Sources
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