- InChI
- InChI=1S/C6H15NO/c1-6(2)8-5-3-4-7/h6H,3-5,7H2,1-2H3
- InChI Key
- VHYUNSUGCNKWSO-UHFFFAOYSA-N
- Formula
- C6H15NO
- SMILES
- CC(C)OCCCN
- Molecular Weight1
- 117.19
- CAS
- 2906-12-9
- Other Names
-
- 3-Isopropoxy-n-propylamine
- 1-Propanamine, 3-(1-methylethoxy)-
- Isopropoxypropylamine
- Propylamine, 3-isopropoxy-
- 3-(1-Methylethoxy)-1-propanamine
- 3-Isopropoxy-1-propylamine
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4795 | Relay (1.0) Calculated Property | |
| ΔfG° | -41.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.760 | Crippen Calculated Property | |
| McVol | 111.250 | ml/mol | McGowan Calculated Property |
| Pc | 3280.28 | kPa | Joback Calculated Property |
| Tboil | 411.75 | K | Relay (1.0) Calculated Property |
| Tc | 577.24 | K | Relay (1.0) Calculated Property |
| Tfus | 218.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.397 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.15; 297.08] | J/mol×K | [431.19; 614.99] | 
|
| Cp,gas | 234.15 | J/mol×K | 431.19 | Joback Calculated Property |
| Cp,gas | 245.64 | J/mol×K | 461.82 | Joback Calculated Property |
| Cp,gas | 256.73 | J/mol×K | 492.46 | Joback Calculated Property |
| Cp,gas | 267.42 | J/mol×K | 523.09 | Joback Calculated Property |
| Cp,gas | 277.70 | J/mol×K | 553.72 | Joback Calculated Property |
| Cp,gas | 287.59 | J/mol×K | 584.35 | Joback Calculated Property |
| Cp,gas | 297.08 | J/mol×K | 614.99 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 351.70 | K | 11.00 | NIST |
Similar Compounds
Find more compounds similar to 3-Isopropoxypropylamine.
Sources
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