Chemical Properties of 2-Octanol, (S)- (CAS 6169-06-8)

InChI

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

InChI Key

SJWFXCIHNDVPSH-MRVPVSSYSA-N

Formula

C8H18O

SMILES

CCCCCCC(C)O

Molecular Weight¹

130.23

CAS

6169-06-8

Other Names

• (S)-(+)-2-Octanol
• d-octan-2-ol

• 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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.6471		Relay (1.0) Calculated Property
ΔfG°	-122.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-391.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.04	kJ/mol	Joback Calculated Property
ΔvapH°	68.94	kJ/mol	Relay (1.0) Calculated Property
IE	9.81	eV	Relay (1.0) Calculated Property
log10WS	-2.11		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	[435.15; 453.25]	K
Tboil	448.20	K	NIST
Tboil	453.15 ± 3.00	K	NIST
Tboil	453.15 ± 3.00	K	NIST
Tboil	449.65 ± 3.00	K	NIST
Tboil	451.15 ± 3.00	K	NIST
Tboil	450.65 ± 3.00	K	NIST
Tboil	450.15 ± 3.00	K	NIST
Tboil	Outlier 435.15 ± 5.00	K	NIST
Tboil	451.65 ± 2.00	K	NIST
Tboil	452.75 ± 0.50	K	NIST
Tboil	448.15 ± 3.00	K	NIST
Tboil	451.15 ± 2.00	K	NIST
Tboil	450.80 ± 2.00	K	NIST
Tboil	452.25 ± 0.50	K	NIST
Tboil	452.20 ± 0.50	K	NIST
Tboil	452.15 ± 2.00	K	NIST
Tboil	450.50 ± 2.00	K	NIST
Tboil	452.15 ± 3.00	K	NIST
Tboil	453.25 ± 2.00	K	NIST
Tboil	452.15 ± 1.00	K	NIST
Tboil	452.15 ± 2.00	K	NIST
Tboil	452.65 ± 2.00	K	NIST
Tboil	449.65 ± 5.00	K	NIST
Tboil	452.65 ± 3.00	K	NIST
Tc	625.01	K	Relay (1.0) Calculated Property
Tfus	245.77	K	Relay (1.0) Calculated Property
Vc	0.504	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

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

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[347.84; 474.97]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.64274e+01
Coefficient B			-4.54011e+03
Coefficient C			-6.65420e+01
Temperature range, min.			347.84
Temperature range, max.			474.97
Pvap	1.33	kPa	347.84	Calculated Property
Pvap	2.88	kPa	361.97	Calculated Property
Pvap	5.82	kPa	376.09	Calculated Property
Pvap	11.03	kPa	390.22	Calculated Property
Pvap	19.83	kPa	404.34	Calculated Property
Pvap	34.01	kPa	418.47	Calculated Property
Pvap	55.95	kPa	432.59	Calculated Property
Pvap	88.71	kPa	446.72	Calculated Property
Pvap	136.07	kPa	460.84	Calculated Property
Pvap	202.63	kPa	474.97	Calculated Property

Similar Compounds

Find more compounds similar to 2-Octanol, (S)-.

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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