- InChI
- InChI=1S/C16H15NO3/c1-17(2)15(18)10-11-16(19)20-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3/b11-10+
- InChI Key
- LMABEVZVSHRUTH-ZHACJKMWSA-N
- Formula
- C16H15NO3
- SMILES
-
CN(C)C(=O)C=CC(=O)Oc1cccc2cccc
c12 - Molecular Weight1
- 269.30
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7050 | Relay (1.0) Calculated Property | |
| ΔfG° | 121.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -303.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.390 | Crippen Calculated Property | |
| McVol | 207.770 | ml/mol | McGowan Calculated Property |
| Pc | 2417.12 | kPa | Joback Calculated Property |
| Inp | 2627.00 | NIST | |
| Tboil | 632.90 | K | Relay (1.0) Calculated Property |
| Tc | 916.32 | K | Relay (1.0) Calculated Property |
| Tfus | 401.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.743 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [567.36; 634.53] | J/mol×K | [762.88; 991.96] | 
|
| Cp,gas | 567.36 | J/mol×K | 762.88 | Joback Calculated Property |
| Cp,gas | 580.73 | J/mol×K | 801.06 | Joback Calculated Property |
| Cp,gas | 593.10 | J/mol×K | 839.24 | Joback Calculated Property |
| Cp,gas | 604.58 | J/mol×K | 877.42 | Joback Calculated Property |
| Cp,gas | 615.25 | J/mol×K | 915.60 | Joback Calculated Property |
| Cp,gas | 625.20 | J/mol×K | 953.78 | Joback Calculated Property |
| Cp,gas | 634.53 | J/mol×K | 991.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N,N-dimethyl-, 1-naphthyl ester.
Sources
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