- InChI
- InChI=1S/C19H29NO3/c1-6-10-23-19(22)17-9-7-8-16(11-17)18(21)20(12-14(2)3)13-15(4)5/h7-9,11,14-15H,6,10,12-13H2,1-5H3
- InChI Key
- GQLKZOGWGVSPBI-UHFFFAOYSA-N
- Formula
- C19H29NO3
- SMILES
-
CCCOC(=O)c1cccc(C(=O)N(CC(C)C)
CC(C)C)c1 - Molecular Weight1
- 319.44
- Other Names
-
- Isophthalic acid, monoamide, N-diisobutyl-, propyl ester
- 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° | -45.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.00 | kJ/mol | Joback Calculated Property |
| log10WS | -4.72 | Crippen Calculated Property | |
| logPoct/wat | 4.008 | Crippen Calculated Property | |
| McVol | 273.800 | ml/mol | McGowan Calculated Property |
| Pc | 1475.88 | kPa | Joback Calculated Property |
| Inp | 2318.00 | NIST | |
| Tboil | 807.50 | K | Joback Calculated Property |
| Tc | 1010.32 | K | Joback Calculated Property |
| Tfus | 467.39 | K | Joback Calculated Property |
| Vc | 1.028 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [832.78; 917.05] | J/mol×K | [807.50; 1010.32] | 
|
| Cp,gas | 832.78 | J/mol×K | 807.50 | Joback Calculated Property |
| Cp,gas | 849.50 | J/mol×K | 841.30 | Joback Calculated Property |
| Cp,gas | 865.10 | J/mol×K | 875.11 | Joback Calculated Property |
| Cp,gas | 879.61 | J/mol×K | 908.91 | Joback Calculated Property |
| Cp,gas | 893.08 | J/mol×K | 942.71 | Joback Calculated Property |
| Cp,gas | 905.54 | J/mol×K | 976.52 | Joback Calculated Property |
| Cp,gas | 917.05 | J/mol×K | 1010.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, monoamide, N,N-diisobutyl-, propyl ester.
Sources
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