- InChI
- InChI=1S/C14H17ClO4/c15-9-11-19-14(17)7-6-13(16)18-10-8-12-4-2-1-3-5-12/h1-5H,6-11H2
- InChI Key
- XDCGMUHMVGHHNY-UHFFFAOYSA-N
- Formula
- C14H17ClO4
- SMILES
- O=C(CCC(=O)OCCc1ccccc1)OCCCl
- 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 | 0.7709 | Relay (1.0) Calculated Property | |
| ΔfG° | -300.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -712.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.335 | Crippen Calculated Property | |
| McVol | 211.480 | ml/mol | McGowan Calculated Property |
| Pc | 2111.94 | kPa | Joback Calculated Property |
| Inp | [2155.00; 2155.00] |
|
|
| Inp | 2155.00 | NIST | |
| Inp | 2155.00 | NIST | |
| Tboil | 615.44 | K | Relay (1.0) Calculated Property |
| Tc | 817.99 | K | Relay (1.0) Calculated Property |
| Tfus | 284.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.769 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [567.10; 634.00] | J/mol×K | [736.41; 944.98] |
|
| Cp,gas | 567.10 | J/mol×K | 736.41 | Joback Calculated Property |
| Cp,gas | 580.53 | J/mol×K | 771.17 | Joback Calculated Property |
| Cp,gas | 593.03 | J/mol×K | 805.93 | Joback Calculated Property |
| Cp,gas | 604.61 | J/mol×K | 840.69 | Joback Calculated Property |
| Cp,gas | 615.29 | J/mol×K | 875.46 | Joback Calculated Property |
| Cp,gas | 625.08 | J/mol×K | 910.22 | Joback Calculated Property |
| Cp,gas | 634.00 | J/mol×K | 944.98 | Joback Calculated Property |
| η | [0.0001074; 0.0010134] | Pa×s | [448.20; 736.41] |
|
| η | 0.0010134 | Pa×s | 448.20 | Joback Calculated Property |
| η | 0.0005818 | Pa×s | 496.24 | Joback Calculated Property |
| η | 0.0003683 | Pa×s | 544.27 | Joback Calculated Property |
| η | 0.0002511 | Pa×s | 592.31 | Joback Calculated Property |
| η | 0.0001814 | Pa×s | 640.34 | Joback Calculated Property |
| η | 0.0001371 | Pa×s | 688.38 | Joback Calculated Property |
| η | 0.0001074 | Pa×s | 736.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, phenethyl 2-chloroethyl ester.
Sources
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