- InChI
- InChI=1S/C7H17NO/c1-3-8(4-2)6-5-7-9/h9H,3-7H2,1-2H3
- InChI Key
- WKCYFSZDBICRKL-UHFFFAOYSA-N
- Formula
- C7H17NO
- SMILES
- CCN(CC)CCCO
- Molecular Weight1
- 131.22
- CAS
- 622-93-5
- Other Names
-
- 3-(Diethylamino)-1-propanol
- 3-(Diethylamino)propanol
- 3-(Diethylamino)propyl alcohol
- 3-diethylamino-1-propanol
- 3-diethylaminopropan-1-ol
- Diethylpropanolamine
- N,N-Diethyl-3-hydroxypropylamine
- «gamma»-Diaethylaminopropanol
- «gamma»-Diaethylaminopropanol
- 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).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboil : Boiling point at given pressure (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 |
|---|---|---|---|
| ΔfG° | -17.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -272.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.90 | kJ/mol | Joback Calculated Property |
| IE | 8.56 ± 0.05 | eV | NIST |
| log10WS | -0.59 | Crippen Calculated Property | |
| logPoct/wat | 0.711 | Crippen Calculated Property | |
| McVol | 125.340 | ml/mol | McGowan Calculated Property |
| Pc | 3086.42 | kPa | Joback Calculated Property |
| Tboil | [462.60; 462.70] | K |
|
| Tboil | 462.70 | K | NIST |
| Tboil | 462.60 | K | NIST |
| Tc | 623.43 | K | Joback Calculated Property |
| Tfus | 261.94 | K | Joback Calculated Property |
| Vc | 0.465 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.08; 341.12] | J/mol×K | [464.18; 623.43] |
|
| Cp,gas | 279.08 | J/mol×K | 464.18 | Joback Calculated Property |
| Cp,gas | 290.52 | J/mol×K | 490.72 | Joback Calculated Property |
| Cp,gas | 301.50 | J/mol×K | 517.26 | Joback Calculated Property |
| Cp,gas | 312.03 | J/mol×K | 543.81 | Joback Calculated Property |
| Cp,gas | 322.14 | J/mol×K | 570.35 | Joback Calculated Property |
| Cp,gas | 331.83 | J/mol×K | 596.89 | Joback Calculated Property |
| Cp,gas | 341.12 | J/mol×K | 623.43 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboil | [353.90; 442.20] | K | [1.80; 69.80] |
|
| Tboil | 353.90 | K | 1.80 | Vapour-... |
| Tboil | 360.20 | K | 2.80 | Vapour-... |
| Tboil | 405.30 | K | 19.80 | Vapour-... |
| Tboil | 409.20 | K | 22.30 | Vapour-... |
| Tboil | 412.10 | K | 24.80 | Vapour-... |
| Tboil | 420.20 | K | 34.80 | Vapour-... |
| Tboil | 427.30 | K | 44.80 | Vapour-... |
| Tboil | 433.40 | K | 54.80 | Vapour-... |
| Tboil | 440.10 | K | 64.80 | Vapour-... |
| Tboil | 442.20 | K | 69.80 | Vapour-... |
| Tboilr | [355.20; 357.00] | K | [2.00; 2.70] |
|
| Tboilr | 355.20 | K | 2.00 | NIST |
| Tboilr | 357.00 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [355.12; 487.93] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.61055e+01 | |||
| Coefficient B | -4.51369e+03 | |||
| Coefficient C | -6.97670e+01 | |||
| Temperature range, min. | 355.12 | |||
| Temperature range, max. | 487.93 | |||
| Pvap | 1.33 | kPa | 355.12 | Calculated Property |
| Pvap | 2.90 | kPa | 369.88 | Calculated Property |
| Pvap | 5.87 | kPa | 384.63 | Calculated Property |
| Pvap | 11.16 | kPa | 399.39 | Calculated Property |
| Pvap | 20.06 | kPa | 414.15 | Calculated Property |
| Pvap | 34.38 | kPa | 428.90 | Calculated Property |
| Pvap | 56.45 | kPa | 443.66 | Calculated Property |
| Pvap | 89.28 | kPa | 458.42 | Calculated Property |
| Pvap | 136.53 | kPa | 473.17 | Calculated Property |
| Pvap | 202.64 | kPa | 487.93 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanol, 3-(diethylamino)-.
Mixtures
- 1-Propanol, 3-(diethylamino)- + Water
- 1-Propanol, 3-(diethylamino)- + 1,3-Propanediamine, N-methyl- + Water
Sources
- Crippen Method
- Crippen Method
- Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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