Chemical Properties of (S)-4-octanol (CAS 90365-63-2)

InChI

InChI=1S/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1

InChI Key

WOFPPJOZXUTRAU-MRVPVSSYSA-N

Formula

C8H18O

SMILES

CCCCC(O)CCC

Molecular Weight¹

130.23

CAS

90365-63-2

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6315		Relay (1.0) Calculated Property
ΔfG°	-122.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-379.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.04	kJ/mol	Joback Calculated Property
ΔvapH°	68.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	-1.95		Relay (1.0) Calculated Property
logPoct/wat	2.338		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2811.36	kPa	Joback Calculated Property
Tboil	[447.15; 449.45]	K
Tboil	449.15 ± 2.00	K	NIST
Tboil	449.15 ± 2.00	K	NIST
Tboil	447.15 ± 3.00	K	NIST
Tboil	449.45 ± 0.50	K	NIST
Tc	625.88	K	Relay (1.0) Calculated Property
Tfus	244.07	K	Relay (1.0) Calculated Property
Vc	0.501	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.38; 451.27]	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			-7.75000e-01
Coefficient B			8.03740e-01
Coefficient C			-4.45000e-04
Coefficient D			9.33000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.38	J/mol×K	273.00	Calculated Property
Cp,gas	232.01	J/mol×K	353.78	Calculated Property
Cp,gas	272.12	J/mol×K	434.56	Calculated Property
Cp,gas	308.01	J/mol×K	515.33	Calculated Property
Cp,gas	339.98	J/mol×K	596.11	Calculated Property
Cp,gas	368.31	J/mol×K	676.89	Calculated Property
Cp,gas	393.32	J/mol×K	757.67	Calculated Property
Cp,gas	415.28	J/mol×K	838.44	Calculated Property
Cp,gas	434.50	J/mol×K	919.22	Calculated Property
Cp,gas	451.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1178389; 0.0002454]	Pa×s	[225.74; 446.16]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.46357e+01
Coefficient B			2.82113e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			225.74
Temperature range, max.			446.16
η	0.1178389	Pa×s	225.74	Calculated Property
η	0.0346808	Pa×s	250.23	Calculated Property
η	0.0126940	Pa×s	274.72	Calculated Property
η	0.0054773	Pa×s	299.21	Calculated Property
η	0.0026839	Pa×s	323.70	Calculated Property
η	0.0014539	Pa×s	348.19	Calculated Property
η	0.0008537	Pa×s	372.68	Calculated Property
η	0.0005353	Pa×s	397.17	Calculated Property
η	0.0003543	Pa×s	421.66	Calculated Property
η	0.0002454	Pa×s	446.16	Calculated Property

Similar Compounds

Find more compounds similar to (S)-4-octanol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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