- InChI
- InChI=1S/C7H17N/c1-4-5-6-8-7(2)3/h7-8H,4-6H2,1-3H3
- InChI Key
- OKRJGUKZYSEUOY-UHFFFAOYSA-N
- Formula
- C7H17N
- SMILES
- CCCCNC(C)C
- Molecular Weight1
- 115.22
- CAS
- 39099-23-5
- Other Names
-
- Butylisopropylamine
- Isopropylbutylamine
- N-Isopropylbutylamine
- Butylamine, N-isopropyl-
- isopropyl-n-butylamine
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔcH°liquid | -4980.90 ± 3.00 | kJ/mol | NIST |
| ΔfG° | 95.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -165.00 ± 3.70 | kJ/mol | NIST |
| ΔfH°liquid | -203.20 ± 3.10 | kJ/mol | NIST |
| ΔfusH° | 15.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [38.20; 42.10] | kJ/mol |
|
| ΔvapH° | 42.08 | kJ/mol | NIST |
| ΔvapH° | 38.20 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 38.20 | kJ/mol | NIST |
| ΔvapH° | 42.10 ± 0.10 | kJ/mol | NIST |
| log10WS | -2.05 | Crippen Calculated Property | |
| logPoct/wat | 1.785 | Crippen Calculated Property | |
| McVol | 119.470 | ml/mol | McGowan Calculated Property |
| Pc | 2862.74 | kPa | Joback Calculated Property |
| Inp | [795.00; 795.00] |
|
|
| Inp | 795.00 | NIST | |
| Inp | 795.00 | NIST | |
| Tboil | [396.60; 397.15] | K |
|
| Tboil | 396.60 | K | NIST |
| Tboil | 397.15 ± 2.00 | K | NIST |
| Tc | 563.60 | K | NIST |
| Tfus | 206.31 | K | Joback Calculated Property |
| Vc | 0.457 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.14; 308.53] | J/mol×K | [409.29; 582.34] |
|
| Cp,gas | 238.14 | J/mol×K | 409.29 | Joback Calculated Property |
| Cp,gas | 251.08 | J/mol×K | 438.13 | Joback Calculated Property |
| Cp,gas | 263.53 | J/mol×K | 466.97 | Joback Calculated Property |
| Cp,gas | 275.48 | J/mol×K | 495.82 | Joback Calculated Property |
| Cp,gas | 286.96 | J/mol×K | 524.66 | Joback Calculated Property |
| Cp,gas | 297.97 | J/mol×K | 553.50 | Joback Calculated Property |
| Cp,gas | 308.53 | J/mol×K | 582.34 | Joback Calculated Property |
| ΔvapH | [34.52; 40.90] | kJ/mol | [313.00; 396.60] |
|
| ΔvapH | 40.90 ± 0.10 | kJ/mol | 313.00 | NIST |
| ΔvapH | 39.90 ± 0.10 | kJ/mol | 328.00 | NIST |
| ΔvapH | 38.70 ± 0.10 | kJ/mol | 343.00 | NIST |
| ΔvapH | 37.60 ± 0.10 | kJ/mol | 358.00 | NIST |
| ΔvapH | 40.00 | kJ/mol | 360.00 | NIST |
| ΔvapH | 34.52 | kJ/mol | 396.60 | NIST |
Similar Compounds
Find more compounds similar to 1-Butanamine, N-(1-methylethyl)-.
Sources
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