- InChI
- InChI=1S/C17H22N2O4/c1-3-19(4-2)11-12-22-16(20)9-10-17(21)23-15-7-5-14(13-18)6-8-15/h5-8H,3-4,9-12H2,1-2H3
- InChI Key
- JFIFVHWRTNXPPQ-UHFFFAOYSA-N
- Formula
- C17H22N2O4
- SMILES
-
CCN(CC)CCOC(=O)CCC(=O)Oc1ccc(C
#N)cc1 - Molecular Weight1
- 318.37
- 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° | -28.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -426.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.21 | kJ/mol | Joback Calculated Property |
| log10WS | -2.92 | Crippen Calculated Property | |
| logPoct/wat | 2.129 | Crippen Calculated Property | |
| McVol | 252.870 | ml/mol | McGowan Calculated Property |
| Pc | 1640.43 | kPa | Joback Calculated Property |
| Inp | 2474.00 | NIST | |
| Tboil | 887.12 | K | Joback Calculated Property |
| Tc | 1100.49 | K | Joback Calculated Property |
| Tfus | 562.07 | K | Joback Calculated Property |
| Vc | 0.972 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [768.92; 827.26] | J/mol×K | [887.12; 1100.49] | 
|
| Cp,gas | 768.92 | J/mol×K | 887.12 | Joback Calculated Property |
| Cp,gas | 781.24 | J/mol×K | 922.68 | Joback Calculated Property |
| Cp,gas | 792.48 | J/mol×K | 958.24 | Joback Calculated Property |
| Cp,gas | 802.68 | J/mol×K | 993.80 | Joback Calculated Property |
| Cp,gas | 811.86 | J/mol×K | 1029.37 | Joback Calculated Property |
| Cp,gas | 820.05 | J/mol×K | 1064.93 | Joback Calculated Property |
| Cp,gas | 827.26 | J/mol×K | 1100.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 4-cyanophenyl N,N-diethyl-2-aminoethyl ester.
Sources
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