- InChI
- InChI=1S/C17H20ClNO4/c18-11-3-1-2-4-12-22-16(20)9-10-17(21)23-15-7-5-14(13-19)6-8-15/h5-8H,1-4,9-12H2
- InChI Key
- YOKNTAJUAZKDJU-UHFFFAOYSA-N
- Formula
- C17H20ClNO4
- SMILES
-
N#Cc1ccc(OC(=O)CCC(=O)OCCCCCCC
l)cc1 - Molecular Weight1
- 337.80
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -151.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -509.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.55 | kJ/mol | Joback Calculated Property |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 3.586 | Crippen Calculated Property | |
| McVol | 255.130 | ml/mol | McGowan Calculated Property |
| Pc | 1594.89 | kPa | Joback Calculated Property |
| Inp | [2743.00; 2743.00] |
|
|
| Inp | 2743.00 | NIST | |
| Inp | 2743.00 | NIST | |
| Tboil | 912.11 | K | Joback Calculated Property |
| Tc | 1130.58 | K | Joback Calculated Property |
| Tfus | 559.52 | K | Joback Calculated Property |
| Vc | 1.002 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [749.58; 800.58] | J/mol×K | [912.11; 1130.58] |
|
| Cp,gas | 749.58 | J/mol×K | 912.11 | Joback Calculated Property |
| Cp,gas | 760.70 | J/mol×K | 948.52 | Joback Calculated Property |
| Cp,gas | 770.75 | J/mol×K | 984.93 | Joback Calculated Property |
| Cp,gas | 779.74 | J/mol×K | 1021.34 | Joback Calculated Property |
| Cp,gas | 787.70 | J/mol×K | 1057.75 | Joback Calculated Property |
| Cp,gas | 794.64 | J/mol×K | 1094.16 | Joback Calculated Property |
| Cp,gas | 800.58 | J/mol×K | 1130.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 6-chlorohexyl 4-cyanophenyl ester.
Sources
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