![2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (S)-](/cid/115-144-4/2-Propanol-1-1-methylethyl-amino-3-1-naphthalenyloxy-S.png "2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (S)-")
- InChI
- InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
- InChI Key
- AQHHHDLHHXJYJD-CQSZACIVSA-N
- Formula
- C16H21NO2
- SMILES
- CC(C)NCC(O)COc1cccc2ccccc12
- Molecular Weight1
- 259.34
- CAS
- 4199-09-1
- Other Names
-
- (S)-1-(isopropylamino)-3-(naphthyloxy)propan-2-ol
- (-) 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol (propranolol)
- 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).
- 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).
- 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 | 0.7902 | Relay (1.0) Calculated Property | |
| ΔfG° | 135.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.578 | Crippen Calculated Property | |
| McVol | 214.800 | ml/mol | McGowan Calculated Property |
| Pc | 2291.52 | kPa | Joback Calculated Property |
| Tboil | 654.88 | K | Relay (1.0) Calculated Property |
| Tc | 880.93 | K | Relay (1.0) Calculated Property |
| Tfus | 369.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.774 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [633.23; 704.00] | J/mol×K | [780.01; 987.06] | 
|
| Cp,gas | 633.23 | J/mol×K | 780.01 | Joback Calculated Property |
| Cp,gas | 647.05 | J/mol×K | 814.52 | Joback Calculated Property |
| Cp,gas | 659.98 | J/mol×K | 849.03 | Joback Calculated Property |
| Cp,gas | 672.09 | J/mol×K | 883.53 | Joback Calculated Property |
| Cp,gas | 683.42 | J/mol×K | 918.04 | Joback Calculated Property |
| Cp,gas | 694.04 | J/mol×K | 952.55 | Joback Calculated Property |
| Cp,gas | 704.00 | J/mol×K | 987.06 | Joback Calculated Property |
| ΔfusH | 36.25 | kJ/mol | 344.70 | NIST |
Similar Compounds
Find more compounds similar to 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (S)-.
Sources
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