- InChI
- InChI=1S/C15H33N/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h13-15H,7-12H2,1-6H3
- InChI Key
- QKVUSSUOYHTOFQ-UHFFFAOYSA-N
- Formula
- C15H33N
- SMILES
- CC(C)CCN(CCC(C)C)CCC(C)C
- Molecular Weight1
- 227.43
- CAS
- 645-41-0
- Other Names
-
- Tri(3-methylbutyl)amine
- Triisoamylamine
- Triisopentylamine
- Tris(3-methylbutyl)amine
- 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).
- 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).
- 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 | -10277.00 | kJ/mol | NIST |
| ΔfG° | 178.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -301.24 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -342.00 | kJ/mol | NIST |
| ΔfusH° | 27.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.86 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 4.427 | Crippen Calculated Property | |
| McVol | 232.190 | ml/mol | McGowan Calculated Property |
| Pc | 1439.16 | kPa | Joback Calculated Property |
| Tboil | 553.72 | K | Joback Calculated Property |
| Tc | 719.95 | K | Joback Calculated Property |
| Tfus | 246.28 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [597.28; 706.08] | J/mol×K | [553.72; 719.95] | 
|
| Cp,gas | 597.28 | J/mol×K | 553.72 | Joback Calculated Property |
| Cp,gas | 617.48 | J/mol×K | 581.43 | Joback Calculated Property |
| Cp,gas | 636.81 | J/mol×K | 609.13 | Joback Calculated Property |
| Cp,gas | 655.32 | J/mol×K | 636.84 | Joback Calculated Property |
| Cp,gas | 673.01 | J/mol×K | 664.54 | Joback Calculated Property |
| Cp,gas | 689.92 | J/mol×K | 692.25 | Joback Calculated Property |
| Cp,gas | 706.08 | J/mol×K | 719.95 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [388.52; 582.52] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.32383e+01 | |||
| Coefficient B | -3.96426e+03 | |||
| Coefficient C | -8.24160e+01 | |||
| Temperature range, min. | 388.52 | |||
| Temperature range, max. | 582.52 | |||
| Pvap | 1.33 | kPa | 388.52 | Calculated Property |
| Pvap | 3.13 | kPa | 410.08 | Calculated Property |
| Pvap | 6.60 | kPa | 431.63 | Calculated Property |
| Pvap | 12.76 | kPa | 453.19 | Calculated Property |
| Pvap | 22.96 | kPa | 474.74 | Calculated Property |
| Pvap | 38.86 | kPa | 496.30 | Calculated Property |
| Pvap | 62.44 | kPa | 517.85 | Calculated Property |
| Pvap | 95.93 | kPa | 539.41 | Calculated Property |
| Pvap | 141.79 | kPa | 560.96 | Calculated Property |
| Pvap | 202.64 | kPa | 582.52 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanamine, 3-methyl-N,N-bis(3-methylbutyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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