- InChI
- InChI=1S/C13H17NO3/c1-16-11-5-2-4-10(8-11)13(15)14-9-12-6-3-7-17-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,14,15)
- InChI Key
- CXNMRTSCFAKPIT-UHFFFAOYSA-N
- Formula
- C13H17NO3
- SMILES
- COc1cccc(C(=O)NCC2CCCO2)c1
- Molecular Weight1
- 235.28
- 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° | -32.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -349.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.83 | kJ/mol | Joback Calculated Property |
| log10WS | -2.70 | Crippen Calculated Property | |
| logPoct/wat | 1.604 | Crippen Calculated Property | |
| McVol | 182.700 | ml/mol | McGowan Calculated Property |
| Pc | 2712.67 | kPa | Joback Calculated Property |
| Inp | 2084.00 | NIST | |
| Tboil | 697.19 | K | Joback Calculated Property |
| Tc | 925.39 | K | Joback Calculated Property |
| Tfus | 437.50 | K | Joback Calculated Property |
| Vc | 0.676 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [517.11; 597.53] | J/mol×K | [697.19; 925.39] | 
|
| Cp,gas | 517.11 | J/mol×K | 697.19 | Joback Calculated Property |
| Cp,gas | 533.36 | J/mol×K | 735.22 | Joback Calculated Property |
| Cp,gas | 548.41 | J/mol×K | 773.26 | Joback Calculated Property |
| Cp,gas | 562.32 | J/mol×K | 811.29 | Joback Calculated Property |
| Cp,gas | 575.12 | J/mol×K | 849.32 | Joback Calculated Property |
| Cp,gas | 586.84 | J/mol×K | 887.35 | Joback Calculated Property |
| Cp,gas | 597.53 | J/mol×K | 925.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-tetrahydrofurfuryl-3-methoxy-.
Sources
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