- InChI
- InChI=1S/C17H31ClO4/c1-2-21-16(19)12-11-13-17(20)22-15-10-8-6-4-3-5-7-9-14-18/h2-15H2,1H3
- InChI Key
- JCSQLUDTFGZWAK-UHFFFAOYSA-N
- Formula
- C17H31ClO4
- SMILES
- CCOC(=O)CCCC(=O)OCCCCCCCCCCCl
- Molecular Weight1
- 334.88
- 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 | 0.9681 | Relay (1.0) Calculated Property | |
| ΔfG° | -540.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1041.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.623 | Crippen Calculated Property | |
| McVol | 277.510 | ml/mol | McGowan Calculated Property |
| Pc | 1208.15 | kPa | Joback Calculated Property |
| Inp | 2424.00 | NIST | |
| Tboil | 609.81 | K | Relay (1.0) Calculated Property |
| Tc | 794.12 | K | Relay (1.0) Calculated Property |
| Tfus | 282.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.061 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.20; 920.86] | 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 | 5.11440e+01 | |||
| Coefficient B | 1.51602e+00 | |||
| Coefficient C | -7.32200e-04 | |||
| Coefficient D | 8.59000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 412.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 499.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 578.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 649.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 712.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 768.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 816.82 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 858.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 892.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 920.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016436; 0.0001017] | Pa×s | [395.93; 643.69] |
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 | -1.36392e+01 | |||
| Coefficient B | 2.86192e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 395.93 | |||
| Temperature range, max. | 643.69 | |||
| η | 0.0016436 | Pa×s | 395.93 | Calculated Property |
| η | 0.0010273 | Pa×s | 423.46 | Calculated Property |
| η | 0.0006801 | Pa×s | 450.99 | Calculated Property |
| η | 0.0004721 | Pa×s | 478.52 | Calculated Property |
| η | 0.0003410 | Pa×s | 506.05 | Calculated Property |
| η | 0.0002547 | Pa×s | 533.57 | Calculated Property |
| η | 0.0001957 | Pa×s | 561.10 | Calculated Property |
| η | 0.0001542 | Pa×s | 588.63 | Calculated Property |
| η | 0.0001241 | Pa×s | 616.16 | Calculated Property |
| η | 0.0001017 | Pa×s | 643.69 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 10-chlorodecyl ethyl ester.
Sources
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