- InChI
- InChI=1S/C17H19ClO4/c1-3-7-14(4-2)21-16(19)10-6-11-17(20)22-15-9-5-8-13(18)12-15/h3-5,8-9,12,14H,1-2,6-7,10-11H2
- InChI Key
- PEYOTWPERNCBBX-UHFFFAOYSA-N
- Formula
- C17H19ClO4
- SMILES
-
C=CCC(C=C)OC(=O)CCCC(=O)Oc1ccc
c(Cl)c1 - Molecular Weight1
- 322.78
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -111.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -428.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.34 | kJ/mol | Joback Calculated Property |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 4.090 | Crippen Calculated Property | |
| McVol | 245.150 | ml/mol | McGowan Calculated Property |
| Pc | 1755.07 | kPa | Joback Calculated Property |
| Inp | [2194.00; 2194.00] |
|
|
| Inp | 2194.00 | NIST | |
| Inp | 2194.00 | NIST | |
| Tboil | 802.95 | K | Joback Calculated Property |
| Tc | 1015.09 | K | Joback Calculated Property |
| Tfus | 476.01 | K | Joback Calculated Property |
| Vc | 0.932 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [679.35; 745.21] | J/mol×K | [802.95; 1015.09] |
|
| Cp,gas | 679.35 | J/mol×K | 802.95 | Joback Calculated Property |
| Cp,gas | 692.76 | J/mol×K | 838.31 | Joback Calculated Property |
| Cp,gas | 705.16 | J/mol×K | 873.66 | Joback Calculated Property |
| Cp,gas | 716.58 | J/mol×K | 909.02 | Joback Calculated Property |
| Cp,gas | 727.04 | J/mol×K | 944.38 | Joback Calculated Property |
| Cp,gas | 736.58 | J/mol×K | 979.73 | Joback Calculated Property |
| Cp,gas | 745.21 | J/mol×K | 1015.09 | Joback Calculated Property |
| η | [0.0000754; 0.0007650] | Pa×s | [476.01; 802.95] |
|
| η | 0.0007650 | Pa×s | 476.01 | Joback Calculated Property |
| η | 0.0004264 | Pa×s | 530.50 | Joback Calculated Property |
| η | 0.0002650 | Pa×s | 584.99 | Joback Calculated Property |
| η | 0.0001786 | Pa×s | 639.48 | Joback Calculated Property |
| η | 0.0001281 | Pa×s | 693.97 | Joback Calculated Property |
| η | 0.0000964 | Pa×s | 748.46 | Joback Calculated Property |
| η | 0.0000754 | Pa×s | 802.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hexa-1,5-dien-3-yl 3-chlorophenyl ester.
Sources
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