- InChI
- InChI=1S/C18H27NO5/c1-5-10-23-18(21)12-14-8-9-15(16(11-14)22-4)24-13-17(20)19(6-2)7-3/h8-9,11H,5-7,10,12-13H2,1-4H3
- InChI Key
- KEJXLQUPYHWCNM-UHFFFAOYSA-N
- Formula
- C18H27NO5
- SMILES
-
CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC
)c(OC)c1 - Molecular Weight1
- 337.41
- CAS
- 1421-14-3
- Other Names
-
- Benzeneacetic acid, 4-[2-(diethylamino)-2-oxoethoxy]-3-methoxy-, propyl ester
- Acetic acid, (4-((diethylcarbamoyl)methoxy)-3-methoxyphenyl)-, propyl ester
- Acetic acid, (p-((diethylcarbamoyl)methoxy)-3-methoxyphenyl)-, propyl ester
- BAY 1420
- Bayer 1420
- 4-(2-(Diethylamino)-2-oxoethoxy)-3-methoxybenzeneacetic acid propyl ester
- (p-((Diethylcarbamoyl)methoxy)-3-methoxyphenyl)acetic acid propyl ester
- (4-((Diethylcarbamoyl)methoxy)-3-methoxyphenyl)acetic acid propyl ester
- Eponthol
- Epontol
- Fabantol
- Fabontal
- FBA 1420
- (3-Methoxy-4-((N,N-diethylcarbamido)methoxy)phenyl)acetic acid n-propyl ester
- Propanidide
- Propantan
- Propyl(4-((diethylcarbamoyl)methoxy)-3-methoxyphenyl)acetate
- Sombrevin
- 2180 TH
- WH 5668
- TH-2180
- 13245RP
- 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° | -268.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -755.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.03 | kJ/mol | Joback Calculated Property |
| log10WS | -3.07 | Crippen Calculated Property | |
| logPoct/wat | 2.438 | Crippen Calculated Property | |
| McVol | 271.450 | ml/mol | McGowan Calculated Property |
| Pc | 1511.67 | kPa | Joback Calculated Property |
| Inp | [2433.00; 2450.00] |
|
|
| Inp | 2443.00 | NIST | |
| Inp | 2433.00 | NIST | |
| Inp | 2450.00 | NIST | |
| Tboil | 835.32 | K | Joback Calculated Property |
| Tc | 1035.83 | K | Joback Calculated Property |
| Tfus | 543.10 | K | Joback Calculated Property |
| Vc | 1.020 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [831.04; 905.25] | J/mol×K | [835.32; 1035.83] |
|
| Cp,gas | 831.04 | J/mol×K | 835.32 | Joback Calculated Property |
| Cp,gas | 846.21 | J/mol×K | 868.74 | Joback Calculated Property |
| Cp,gas | 860.26 | J/mol×K | 902.16 | Joback Calculated Property |
| Cp,gas | 873.17 | J/mol×K | 935.58 | Joback Calculated Property |
| Cp,gas | 884.97 | J/mol×K | 969.00 | Joback Calculated Property |
| Cp,gas | 895.66 | J/mol×K | 1002.42 | Joback Calculated Property |
| Cp,gas | 905.25 | J/mol×K | 1035.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanidid.
Sources
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