- InChI
- InChI=1S/C5H13NO/c6-4-2-1-3-5-7/h7H,1-6H2
- InChI Key
- LQGKDMHENBFVRC-UHFFFAOYSA-N
- Formula
- C5H13NO
- SMILES
- NCCCCCO
- Molecular Weight1
- 103.16
- CAS
- 2508-29-4
- Other Names
-
- 1-Pentanol, 5-amino-
- 5-Amino-1-pentanol
- 5-Aminopentanol-1
- 5-aminopentan-1-ol
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.6958 | Relay (1.0) Calculated Property | |
| ΔfG° | -79.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -281.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.108 | Crippen Calculated Property | |
| McVol | 97.160 | ml/mol | McGowan Calculated Property |
| Pc | 4167.71 | kPa | Joback Calculated Property |
| Inp | [988.00; 1075.00] |
|
|
| Inp | 988.00 | NIST | |
| Inp | 1075.00 | NIST | |
| Inp | 988.00 | NIST | |
| I | [1799.00; 1799.00] |
|
|
| I | 1799.00 | NIST | |
| I | 1799.00 | NIST | |
| Tboil | [494.50; 494.70] | K |
|
| Tboil | 494.70 | K | NIST |
| Tboil | 494.50 ± 0.50 | K | NIST |
| Tc | 706.36 | K | Relay (1.0) Calculated Property |
| Tfus | 311.50 ± 0.50 | K | NIST |
| Vc | 0.346 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [353.00; 395.20] | K | [0.10; 2.10] |
|
| Tboilr | 353.00 ± 1.00 | K | 0.10 | NIST |
| Tboilr | 395.20 | K | 2.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.43; 331.92] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.01250e+01 | |||
| Coefficient B | 5.74700e-01 | |||
| Coefficient C | -3.22000e-04 | |||
| Coefficient D | 6.91000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 176.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 204.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 230.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 252.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 273.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 290.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 306.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 319.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 331.93 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [380.72; 521.44] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.60952e+01 | |||
| Coefficient B | -4.77479e+03 | |||
| Coefficient C | -7.86630e+01 | |||
| Temperature range, min. | 380.72 | |||
| Temperature range, max. | 521.44 | |||
| Pvap | 1.33 | kPa | 380.72 | Calculated Property |
| Pvap | 2.90 | kPa | 396.36 | Calculated Property |
| Pvap | 5.87 | kPa | 411.99 | Calculated Property |
| Pvap | 11.16 | kPa | 427.63 | Calculated Property |
| Pvap | 20.07 | kPa | 443.26 | Calculated Property |
| Pvap | 34.39 | kPa | 458.90 | Calculated Property |
| Pvap | 56.47 | kPa | 474.53 | Calculated Property |
| Pvap | 89.30 | kPa | 490.17 | Calculated Property |
| Pvap | 136.55 | kPa | 505.80 | Calculated Property |
| Pvap | 202.64 | kPa | 521.44 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanol, 5-amino-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Equilibrium solubility of carbon dioxide in aqueous solutions of 3-amino-1-propanol, 4-amino-1-butanol and 5-amino-1-pentanol at low partial pressures
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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