Chemical Properties of 3-Hexanol, 3-ethyl- (CAS 597-76-2)

InChI

InChI=1S/C8H18O/c1-4-7-8(9,5-2)6-3/h9H,4-7H2,1-3H3

InChI Key

WNDLTOTUHMHNOC-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCCC(O)(CC)CC

Molecular Weight¹

130.23

CAS

597-76-2

Other Names

• 1,1-Diethyl-1-butanol
• 3-Ethyl-3-hexanol
• 3-ethylhexan-3-ol

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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_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
ΔfG°	-117.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-369.43	kJ/mol	Joback Calculated Property
ΔfusH°	13.15	kJ/mol	Joback Calculated Property
ΔvapH°	48.78	kJ/mol	Joback Calculated Property
log10WS	-2.55		Crippen Calculated Property
logPoct/wat	2.338		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2844.44	kPa	Joback Calculated Property
Tboil	[431.65; 433.25]	K
Tboil	433.25 ± 2.00	K	NIST
Tboil	433.15 ± 3.00	K	NIST
Tboil	431.65 ± 3.00	K	NIST
Tboil	432.15 ± 3.00	K	NIST
Tc	640.25	K	Joback Calculated Property
Tfus	243.16	K	Joback Calculated Property
Vc	0.491	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[292.85; 359.77]	J/mol×K	[471.39; 640.25]
Cp,gas	292.85	J/mol×K	471.39	Joback Calculated Property
Cp,gas	305.37	J/mol×K	499.53	Joback Calculated Property
Cp,gas	317.32	J/mol×K	527.68	Joback Calculated Property
Cp,gas	328.71	J/mol×K	555.82	Joback Calculated Property
Cp,gas	339.57	J/mol×K	583.96	Joback Calculated Property
Cp,gas	349.91	J/mol×K	612.10	Joback Calculated Property
Cp,gas	359.77	J/mol×K	640.25	Joback Calculated Property
η	[0.0001803; 0.0742698]	Pa×s	[243.16; 471.39]
η	0.0742698	Pa×s	243.16	Joback Calculated Property
η	0.0138116	Pa×s	281.20	Joback Calculated Property
η	0.0038351	Pa×s	319.24	Joback Calculated Property
η	0.0013989	Pa×s	357.27	Joback Calculated Property
η	0.0006196	Pa×s	395.31	Joback Calculated Property
η	0.0003166	Pa×s	433.35	Joback Calculated Property
η	0.0001803	Pa×s	471.39	Joback Calculated Property
ΔvapH	49.20	kJ/mol	382.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[328.42; 457.91]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60042e+01
Coefficient B			-4.33157e+03
Coefficient C			-5.28160e+01
Temperature range, min.			328.42
Temperature range, max.			457.91
Pvap	1.33	kPa	328.42	Calculated Property
Pvap	2.91	kPa	342.81	Calculated Property
Pvap	5.89	kPa	357.20	Calculated Property
Pvap	11.20	kPa	371.58	Calculated Property
Pvap	20.14	kPa	385.97	Calculated Property
Pvap	34.49	kPa	400.36	Calculated Property
Pvap	56.61	kPa	414.75	Calculated Property
Pvap	89.46	kPa	429.13	Calculated Property
Pvap	136.69	kPa	443.52	Calculated Property
Pvap	202.64	kPa	457.91	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexanol, 3-ethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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