- InChI
- InChI=1S/C14H17ClO4/c1-3-8-18-13(16)11-4-6-12(7-5-11)14(17)19-9-10(2)15/h4-7,10H,3,8-9H2,1-2H3
- InChI Key
- NIPYFIAVKUHJBC-UHFFFAOYSA-N
- Formula
- C14H17ClO4
- SMILES
-
CCCOC(=O)c1ccc(C(=O)OCC(C)Cl)c
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 | 0.7833 | Relay (... Calculated Property | |
| ΔfG° | -312.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -767.55 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.78 | kJ/mol | Relay (... Calculated Property |
| IE | 9.86 | eV | Relay (... Calculated Property |
| log10WS | -4.47 | Relay (... Calculated Property | |
| logPoct/wat | 3.038 | Crippen Calculated Property | |
| McVol | 211.480 | ml/mol | McGowan Calculated Property |
| Pc | 2098.42 | kPa | Joback Calculated Property |
| Inp | [2053.00; 2053.00] |
|
|
| Inp | 2053.00 | NIST | |
| Inp | 2053.00 | NIST | |
| Tboil | 611.95 | K | Relay (... Calculated Property |
| Tc | 802.64 | K | Relay (... Calculated Property |
| Tfus | 321.33 | K | Relay (... Calculated Property |
| Vc | 0.775 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.56; 633.68] | J/mol×K | [740.95; 953.69] |
|
| Cp,gas | 566.56 | J/mol×K | 740.95 | Joback Calculated Property |
| Cp,gas | 580.10 | J/mol×K | 776.41 | Joback Calculated Property |
| Cp,gas | 592.69 | J/mol×K | 811.86 | Joback Calculated Property |
| Cp,gas | 604.33 | J/mol×K | 847.32 | Joback Calculated Property |
| Cp,gas | 615.04 | J/mol×K | 882.78 | Joback Calculated Property |
| Cp,gas | 624.82 | J/mol×K | 918.24 | Joback Calculated Property |
| Cp,gas | 633.68 | J/mol×K | 953.69 | Joback Calculated Property |
| η | [0.0000992; 0.0009754] | Pa×s | [445.72; 740.95] |
|
| η | 0.0009754 | Pa×s | 445.72 | Joback Calculated Property |
| η | 0.0005515 | Pa×s | 494.93 | Joback Calculated Property |
| η | 0.0003457 | Pa×s | 544.13 | Joback Calculated Property |
| η | 0.0002341 | Pa×s | 593.34 | Joback Calculated Property |
| η | 0.0001683 | Pa×s | 642.54 | Joback Calculated Property |
| η | 0.0001268 | Pa×s | 691.75 | Joback Calculated Property |
| η | 0.0000992 | Pa×s | 740.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 2-chloropropyl propyl ester.
Sources
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