Chemical Properties of (S)-(+)-Isoleucinol (CAS 24629-25-2)

(S)-(+)-Isoleucinol

InChI
InChI=1S/C6H15NO/c1-3-5(2)6(7)4-8/h5-6,8H,3-4,7H2,1-2H3
InChI Key
VTQHAQXFSHDMHT-UHFFFAOYSA-N
Formula
C6H15NO
SMILES
CCC(C)C(N)CO
Molecular Weight1
117.19
CAS
24629-25-2
Other Names
  • 1-Pentanol, 2-amino-3-methyl-, [S-(R*,R*)]-
  • 2-amino-3-methylpentan-1-ol
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.6150 Relay (1.0) Calculated Property
ΔfG° -75.61 kJ/mol Joback Calculated Property
ΔfH°gas -309.02 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 13.53 kJ/mol Joback Calculated Property
ΔvapH° 67.42 kJ/mol Relay (1.0) Calculated Property
IE 8.77 eV Relay (1.0) Calculated Property
log10WS -0.64 Relay (1.0) Calculated Property
logPoct/wat 0.352 Crippen Calculated Property
McVol 111.250 ml/mol McGowan Calculated Property
Pc 3768.41 kPa Joback Calculated Property
Tboil 470.18 K Relay (1.0) Calculated Property
Tc 654.90 K Relay (1.0) Calculated Property
Tfus 300.16 K Relay (1.0) Calculated Property
Vc 0.368 m3/kmol Relay (1.0) Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 370.20 K 1.90 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [165.01; 384.59] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.85200e+00
Coefficient B6.81540e-01
Coefficient C-3.82800e-04
Coefficient D8.00000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 165.01 J/mol×K 273.00 Calculated Property
Cp,gas 202.60 J/mol×K 353.78 Calculated Property
Cp,gas 236.30 J/mol×K 434.56 Calculated Property
Cp,gas 266.36 J/mol×K 515.33 Calculated Property
Cp,gas 293.04 J/mol×K 596.11 Calculated Property
Cp,gas 316.60 J/mol×K 676.89 Calculated Property
Cp,gas 337.28 J/mol×K 757.67 Calculated Property
Cp,gas 355.33 J/mol×K 838.44 Calculated Property
Cp,gas 371.02 J/mol×K 919.22 Calculated Property
Cp,gas 384.59 J/mol×K 1000.00 Calculated Property

Similar Compounds

(R)-(-)-Leucinol. 1-Pentanol, 2-amino-4-methyl-. 1-Pentanol, 2-amino-4-methyl-, (S)-. allo-L-isoleucine. L-Isoleucine. DL-Isoleucine. (Pent-3-yl) glycine. 1-Butanol, 2-amino-3-methyl-, (.+/-.)-. (S)-(+)-2-Amino-3-methyl-1-butanol. (1-Methylbutyl) glycine. cis-3-Aminobicyclo[2.2.2]octan-2-ol. trans-3-Aminobicyclo[2.2.2]octan-2-ol. (3-Methylbut-2-yl) glycine. l-Isoleucine, trimethylsilyl ester. L-Isoleucine, ethyl ester.

Find more compounds similar to (S)-(+)-Isoleucinol.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.