- InChI
- InChI=1S/C14H17ClO4/c1-2-3-8-18-13(16)11-5-4-6-12(10-11)14(17)19-9-7-15/h4-6,10H,2-3,7-9H2,1H3
- InChI Key
- LYGAXOOCKBINHY-UHFFFAOYSA-N
- Formula
- C14H17ClO4
- SMILES
- CCCCOC(=O)c1cccc(C(=O)OCCCl)c1
- Molecular Weight1
- 284.74
- 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 | 0.8263 | Relay (1.0) Calculated Property | |
| ΔfG° | -309.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -744.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.039 | Crippen Calculated Property | |
| McVol | 211.480 | ml/mol | McGowan Calculated Property |
| Pc | 2083.12 | kPa | Joback Calculated Property |
| Inp | [2150.00; 2150.00] |
|
|
| Inp | 2150.00 | NIST | |
| Inp | 2150.00 | NIST | |
| Tboil | 609.61 | K | Relay (1.0) Calculated Property |
| Tc | 814.93 | K | Relay (1.0) Calculated Property |
| Tfus | 286.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.774 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [565.99; 632.35] | J/mol×K | [741.39; 950.76] |
|
| Cp,gas | 565.99 | J/mol×K | 741.39 | Joback Calculated Property |
| Cp,gas | 579.31 | J/mol×K | 776.28 | Joback Calculated Property |
| Cp,gas | 591.71 | J/mol×K | 811.18 | Joback Calculated Property |
| Cp,gas | 603.21 | J/mol×K | 846.07 | Joback Calculated Property |
| Cp,gas | 613.81 | J/mol×K | 880.97 | Joback Calculated Property |
| Cp,gas | 623.52 | J/mol×K | 915.86 | Joback Calculated Property |
| Cp,gas | 632.35 | J/mol×K | 950.76 | Joback Calculated Property |
| η | [0.0001076; 0.0008524] | Pa×s | [460.72; 741.39] |
|
| η | 0.0008524 | Pa×s | 460.72 | Joback Calculated Property |
| η | 0.0005150 | Pa×s | 507.50 | Joback Calculated Property |
| η | 0.0003387 | Pa×s | 554.28 | Joback Calculated Property |
| η | 0.0002378 | Pa×s | 601.06 | Joback Calculated Property |
| η | 0.0001757 | Pa×s | 647.83 | Joback Calculated Property |
| η | 0.0001353 | Pa×s | 694.61 | Joback Calculated Property |
| η | 0.0001076 | Pa×s | 741.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl 2-chloroethyl ester.
Sources
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