- InChI
- InChI=1S/C18H27NO4/c1-3-19(4-2)13-15-23-18(21)11-10-17(20)22-14-12-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3
- InChI Key
- YIBFVKFMZGCTJO-UHFFFAOYSA-N
- Formula
- C18H27NO4
- SMILES
-
CCN(CC)CCOC(=O)CCC(=O)OCCc1ccc
cc1 - Molecular Weight1
- 321.41
- 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° | -143.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -600.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.29 | kJ/mol | Joback Calculated Property |
| log10WS | -2.76 | Crippen Calculated Property | |
| logPoct/wat | 2.438 | Crippen Calculated Property | |
| McVol | 265.580 | ml/mol | McGowan Calculated Property |
| Pc | 1568.47 | kPa | Joback Calculated Property |
| Inp | 2384.00 | NIST | |
| Tboil | 802.94 | K | Joback Calculated Property |
| Tc | 1001.06 | K | Joback Calculated Property |
| Tfus | 495.83 | K | Joback Calculated Property |
| Vc | 1.002 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [803.56; 882.84] | J/mol×K | [802.94; 1001.06] | 
|
| Cp,gas | 803.56 | J/mol×K | 802.94 | Joback Calculated Property |
| Cp,gas | 819.36 | J/mol×K | 835.96 | Joback Calculated Property |
| Cp,gas | 834.09 | J/mol×K | 868.98 | Joback Calculated Property |
| Cp,gas | 847.77 | J/mol×K | 902.00 | Joback Calculated Property |
| Cp,gas | 860.43 | J/mol×K | 935.02 | Joback Calculated Property |
| Cp,gas | 872.11 | J/mol×K | 968.04 | Joback Calculated Property |
| Cp,gas | 882.84 | J/mol×K | 1001.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, phenethyl N,N-diethyl-2-aminoethyl ester.
Sources
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