- InChI
- InChI=1S/C14H17ClO3/c1-10(2)11-6-3-4-7-12(11)18-14(17)9-5-8-13(15)16/h3-4,6-7,10H,5,8-9H2,1-2H3
- InChI Key
- REFITRWAQBJRDF-UHFFFAOYSA-N
- Formula
- C14H17ClO3
- SMILES
- CC(C)c1ccccc1OC(=O)CCCC(=O)Cl
- Molecular Weight1
- 268.74
- 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 | 0.6963 | Relay (1.0) Calculated Property | |
| ΔfG° | -207.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -559.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.651 | Crippen Calculated Property | |
| McVol | 205.610 | ml/mol | McGowan Calculated Property |
| Pc | 2131.49 | kPa | Joback Calculated Property |
| Inp | 1907.00 | NIST | |
| Tboil | 577.64 | K | Relay (1.0) Calculated Property |
| Tc | 797.02 | K | Relay (1.0) Calculated Property |
| Tfus | 306.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.725 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [540.43; 610.02] | J/mol×K | [718.53; 933.24] | 
|
| Cp,gas | 540.43 | J/mol×K | 718.53 | Joback Calculated Property |
| Cp,gas | 554.31 | J/mol×K | 754.31 | Joback Calculated Property |
| Cp,gas | 567.25 | J/mol×K | 790.10 | Joback Calculated Property |
| Cp,gas | 579.26 | J/mol×K | 825.88 | Joback Calculated Property |
| Cp,gas | 590.38 | J/mol×K | 861.67 | Joback Calculated Property |
| Cp,gas | 600.62 | J/mol×K | 897.45 | Joback Calculated Property |
| Cp,gas | 610.02 | J/mol×K | 933.24 | Joback Calculated Property |
| η | [0.0001295; 0.0013717] | Pa×s | [423.49; 718.53] |
|
| η | 0.0013717 | Pa×s | 423.49 | Joback Calculated Property |
| η | 0.0007543 | Pa×s | 472.66 | Joback Calculated Property |
| η | 0.0004642 | Pa×s | 521.84 | Joback Calculated Property |
| η | 0.0003106 | Pa×s | 571.01 | Joback Calculated Property |
| η | 0.0002215 | Pa×s | 620.18 | Joback Calculated Property |
| η | 0.0001660 | Pa×s | 669.36 | Joback Calculated Property |
| η | 0.0001295 | Pa×s | 718.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monochloride, 2-isopropylphenyl ester.
Sources
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