- InChI
- InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
- InChI Key
- GLNDAGDHSLMOKX-UHFFFAOYSA-N
- Formula
- C10H9NO2
- SMILES
- Cc1cc(=O)oc2cc(N)ccc12
- Molecular Weight1
- 175.18
- CAS
- 26093-31-2
- Other Names
-
- 7-Amino-4-methylcoumarin
- C 120
- Coumarin 120
- Coumarin 440
- Coumarin, 7-Amino-4-methyl-
- 4-Methyl-7-aminocoumarin
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 | 0.6087 | Relay (1.0) Calculated Property | |
| ΔfG° | -31.84 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -203.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | NIST |
| log10WS | -2.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.684 | Crippen Calculated Property | |
| McVol | 130.260 | ml/mol | McGowan Calculated Property |
| Pc | 3724.62 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 643.26 | K | Relay (1.0) Calculated Property |
| Tc | 867.19 | K | Relay (1.0) Calculated Property |
| Tfus | 433.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.478 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [32.09; 32.09] | kJ/mol | [499.90; 499.90] | 
|
| ΔfusH | 32.09 | kJ/mol | 499.90 | NIST |
| ΔfusH | 32.09 | kJ/mol | 499.90 | NIST |
| ΔfusS | 64.82 | J/mol×K | 499.90 | NIST |
Similar Compounds
Find more compounds similar to 2H-1-Benzopyran-2-one, 7-amino-4-methyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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