- InChI
- InChI=1S/C9H13NO2/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-4,6,11-12H,1-2,5,10H2
- InChI Key
- JDMNLLVJYLMTPE-UHFFFAOYSA-N
- Formula
- C9H13NO2
- SMILES
- NCCCc1ccc(O)c(O)c1
- Molecular Weight1
- 167.21
- CAS
- 555-64-6
- 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).
- 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 | 0.7942 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 ± 0.06 | eV | NIST |
| log10WS | -0.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.989 | Crippen Calculated Property | |
| McVol | 135.630 | ml/mol | McGowan Calculated Property |
| Pc | 5131.32 | kPa | Joback Calculated Property |
| Tboil | 592.10 | K | Relay (1.0) Calculated Property |
| Tc | 832.07 | K | Relay (1.0) Calculated Property |
| Tfus | 421.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.457 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [366.59; 424.20] | J/mol×K | [665.77; 905.80] | 
|
| Cp,gas | 366.59 | J/mol×K | 665.77 | Joback Calculated Property |
| Cp,gas | 377.35 | J/mol×K | 705.77 | Joback Calculated Property |
| Cp,gas | 387.45 | J/mol×K | 745.78 | Joback Calculated Property |
| Cp,gas | 397.03 | J/mol×K | 785.78 | Joback Calculated Property |
| Cp,gas | 406.25 | J/mol×K | 825.79 | Joback Calculated Property |
| Cp,gas | 415.25 | J/mol×K | 865.79 | Joback Calculated Property |
| Cp,gas | 424.20 | J/mol×K | 905.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Benzenediol,4-(2-aminopropyl)-.
Sources
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