- InChI
- InChI=1S/C18H29NO3/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3/h7-11,17H,4-6,12-15H2,1-3H3
- InChI Key
- DDVUMDPCZWBYRA-UHFFFAOYSA-N
- Formula
- C18H29NO3
- SMILES
-
CCC(C(=O)OCCOCCN(CC)CC)c1ccccc
1 - Molecular Weight1
- 307.43
- CAS
- 18109-81-4
- Other Names
-
- diethyl[2-[2-(2-phenylbutyroyloxy)ethoxy]ethyl]ammonium dihydrogen citrate
- 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° | -17.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -493.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.16 | kJ/mol | Joback Calculated Property |
| log10WS | -2.94 | Crippen Calculated Property | |
| logPoct/wat | 3.082 | Crippen Calculated Property | |
| McVol | 264.010 | ml/mol | McGowan Calculated Property |
| Pc | 1502.31 | kPa | Joback Calculated Property |
| Inp | 2021.00 | NIST | |
| Tboil | 748.63 | K | Joback Calculated Property |
| Tc | 941.68 | K | Joback Calculated Property |
| Tfus | 430.90 | K | Joback Calculated Property |
| Vc | 0.990 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [782.81; 873.48] | J/mol×K | [748.63; 941.68] | 
|
| Cp,gas | 782.81 | J/mol×K | 748.63 | Joback Calculated Property |
| Cp,gas | 800.50 | J/mol×K | 780.81 | Joback Calculated Property |
| Cp,gas | 817.13 | J/mol×K | 812.98 | Joback Calculated Property |
| Cp,gas | 832.71 | J/mol×K | 845.16 | Joback Calculated Property |
| Cp,gas | 847.27 | J/mol×K | 877.33 | Joback Calculated Property |
| Cp,gas | 860.85 | J/mol×K | 909.51 | Joback Calculated Property |
| Cp,gas | 873.48 | J/mol×K | 941.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butamirate Citrate.
Sources
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