Chemical Properties of 3-Hexanol, 2,5-dimethyl- (CAS 19550-07-3)

InChI

InChI=1S/C8H18O/c1-6(2)5-8(9)7(3)4/h6-9H,5H2,1-4H3

InChI Key

SNKTZHPOKPYBPT-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CC(C)CC(O)C(C)C

Molecular Weight¹

130.23

CAS

19550-07-3

Other Names

• 2,5-Dimethyl-3-hexanol
• 2,5-dimethylhexan-3-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).
• 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
ω	0.5725		Relay (1.0) Calculated Property
ΔfG°	-127.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-391.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.99	kJ/mol	Joback Calculated Property
ΔvapH°	61.69	kJ/mol	Relay (1.0) Calculated Property
log10WS	-1.90		Relay (1.0) Calculated Property
logPoct/wat	2.049		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2859.68	kPa	Joback Calculated Property
Tboil	[428.65; 435.15]	K
Tboil	429.65 ± 3.00	K	NIST
Tboil	432.20 ± 1.00	K	NIST
Tboil	428.65 ± 3.00	K	NIST
Tboil	434.15 ± 3.00	K	NIST
Tboil	435.15 ± 2.00	K	NIST
Tboil	429.15 ± 3.00	K	NIST
Tboil	430.65 ± 3.00	K	NIST
Tc	610.20	K	Relay (1.0) Calculated Property
Tfus	252.80	K	Relay (1.0) Calculated Property
Vc	0.476	m3/kmol	Relay (1.0) Calculated Property

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Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.75; 452.34]	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			-4.13900e+00
Coefficient B			8.15580e-01
Coefficient C			-4.51400e-04
Coefficient D			9.23000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.75	J/mol×K	273.00	Calculated Property
Cp,gas	231.99	J/mol×K	353.78	Calculated Property
Cp,gas	272.61	J/mol×K	434.56	Calculated Property
Cp,gas	308.91	J/mol×K	515.33	Calculated Property
Cp,gas	341.18	J/mol×K	596.11	Calculated Property
Cp,gas	369.72	J/mol×K	676.89	Calculated Property
Cp,gas	394.81	J/mol×K	757.67	Calculated Property
Cp,gas	416.75	J/mol×K	838.44	Calculated Property
Cp,gas	435.83	J/mol×K	919.22	Calculated Property
Cp,gas	452.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.9006667; 0.0002098]	Pa×s	[195.74; 450.21]	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			-1.49037e+01
Coefficient B			2.89677e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			195.74
Temperature range, max.			450.21
η	0.9006667	Pa×s	195.74	Calculated Property
η	0.1391038	Pa×s	224.01	Calculated Property
η	0.0326548	Pa×s	252.29	Calculated Property
η	0.0102663	Pa×s	280.56	Calculated Property
η	0.0039893	Pa×s	308.84	Calculated Property
η	0.0018165	Pa×s	337.11	Calculated Property
η	0.0009342	Pa×s	365.39	Calculated Property
η	0.0005286	Pa×s	393.66	Calculated Property
η	0.0003229	Pa×s	421.94	Calculated Property
η	0.0002098	Pa×s	450.21	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[330.90; 454.63]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.58903e+01
Coefficient B			-4.06498e+03
Coefficient C			-7.03730e+01
Temperature range, min.			330.90
Temperature range, max.			454.63
Pvap	1.33	kPa	330.90	Calculated Property
Pvap	2.91	kPa	344.65	Calculated Property
Pvap	5.91	kPa	358.40	Calculated Property
Pvap	11.24	kPa	372.14	Calculated Property
Pvap	20.22	kPa	385.89	Calculated Property
Pvap	34.63	kPa	399.64	Calculated Property
Pvap	56.80	kPa	413.39	Calculated Property
Pvap	89.68	kPa	427.13	Calculated Property
Pvap	136.86	kPa	440.88	Calculated Property
Pvap	202.66	kPa	454.63	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexanol, 2,5-dimethyl-.

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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