- InChI
- InChI=1S/C24H51N/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3
- InChI Key
- YKGBNAGNNUEZQC-UHFFFAOYSA-N
- Formula
- C24H51N
- SMILES
-
CC(C)CCCCCN(CCCCCC(C)C)CCCCCC(
C)C - Molecular Weight1
- 353.67
- CAS
- 25549-16-0
- 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).
- 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 |
|---|---|---|---|
| ω | 0.9130 | Relay (1.0) Calculated Property | |
| ΔfG° | 254.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -539.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.938 | Crippen Calculated Property | |
| McVol | 359.000 | ml/mol | McGowan Calculated Property |
| Pc | 816.33 | kPa | Joback Calculated Property |
| Tboil | 612.67 | K | Relay (1.0) Calculated Property |
| Tc | 773.03 | K | Relay (1.0) Calculated Property |
| Tfus | 242.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.374 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [529.18; 1297.16] | 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 | -3.46650e+01 | |||
| Coefficient B | 2.42552e+00 | |||
| Coefficient C | -1.40400e-03 | |||
| Coefficient D | 3.10300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 529.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 661.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 779.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 884.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 978.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1060.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1132.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1194.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1249.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1297.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [516.98; 693.49] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.64097e+01 | |||
| Coefficient B | -6.28635e+03 | |||
| Coefficient C | -1.27055e+02 | |||
| Temperature range, min. | 516.98 | |||
| Temperature range, max. | 693.49 | |||
| Pvap | 1.33 | kPa | 516.98 | Calculated Property |
| Pvap | 2.89 | kPa | 536.59 | Calculated Property |
| Pvap | 5.82 | kPa | 556.20 | Calculated Property |
| Pvap | 11.04 | kPa | 575.82 | Calculated Property |
| Pvap | 19.85 | kPa | 595.43 | Calculated Property |
| Pvap | 34.04 | kPa | 615.04 | Calculated Property |
| Pvap | 55.99 | kPa | 634.65 | Calculated Property |
| Pvap | 88.75 | kPa | 654.27 | Calculated Property |
| Pvap | 136.12 | kPa | 673.88 | Calculated Property |
| Pvap | 202.67 | kPa | 693.49 | Calculated Property |
Similar Compounds
Find more compounds similar to triisooctylamine.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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