- InChI
- InChI=1S/C9H15ClO4/c1-3-13-8(11)4-5-9(12)14-6-7(2)10/h7H,3-6H2,1-2H3
- InChI Key
- JBPBSXHYWSBZCF-UHFFFAOYSA-N
- Formula
- C9H15ClO4
- SMILES
- CCOC(=O)CCC(=O)OCC(C)Cl
- Molecular Weight1
- 222.67
- 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 | 0.6345 | Relay (1.0) Calculated Property | |
| ΔfG° | -610.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -899.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.500 | Crippen Calculated Property | |
| McVol | 164.790 | ml/mol | McGowan Calculated Property |
| Pc | 2265.42 | kPa | Joback Calculated Property |
| Inp | [1457.00; 1457.00] |
|
|
| Inp | 1457.00 | NIST | |
| Inp | 1457.00 | NIST | |
| Tboil | 526.42 | K | Relay (1.0) Calculated Property |
| Tc | 699.61 | K | Relay (1.0) Calculated Property |
| Tfus | 268.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.623 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.17; 508.67] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.67340e+01 | |||
| Coefficient B | 7.61940e-01 | |||
| Coefficient C | -3.00200e-04 | |||
| Coefficient D | -9.80000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 242.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 288.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 330.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 368.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 402.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 431.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 457.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 478.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 495.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 508.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0054763; 0.0002103] | Pa×s | [290.77; 520.66] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.25893e+01 | |||
| Coefficient B | 2.14646e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 290.77 | |||
| Temperature range, max. | 520.66 | |||
| η | 0.0054763 | Pa×s | 290.77 | Calculated Property |
| η | 0.0030171 | Pa×s | 316.31 | Calculated Property |
| η | 0.0018171 | Pa×s | 341.86 | Calculated Property |
| η | 0.0011744 | Pa×s | 367.40 | Calculated Property |
| η | 0.0008033 | Pa×s | 392.94 | Calculated Property |
| η | 0.0005755 | Pa×s | 418.49 | Calculated Property |
| η | 0.0004285 | Pa×s | 444.03 | Calculated Property |
| η | 0.0003294 | Pa×s | 469.58 | Calculated Property |
| η | 0.0002602 | Pa×s | 495.12 | Calculated Property |
| η | 0.0002103 | Pa×s | 520.66 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-chloropropyl ethyl ester.
Sources
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