Chemical Properties of 4-Octanol, 4,7-dimethyl- (CAS 19781-13-6)

InChI

InChI=1S/C10H22O/c1-5-7-10(4,11)8-6-9(2)3/h9,11H,5-8H2,1-4H3

InChI Key

OTISWHNJCUMBFI-UHFFFAOYSA-N

Formula

C10H22O

SMILES

CCCC(C)(O)CCC(C)C

Molecular Weight¹

158.28

CAS

19781-13-6

Other Names

• 4,7-Dimethyl-4-octanol
• 4,7-dimethyloctan-4-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).
• 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).
• I_np : Non-polar retention indices.
• 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°	-103.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-415.99	kJ/mol	Joback Calculated Property
ΔfusH°	14.81	kJ/mol	Joback Calculated Property
ΔvapH°	52.85	kJ/mol	Joback Calculated Property
log10WS	-3.14		Crippen Calculated Property
logPoct/wat	2.974		Crippen Calculated Property
McVol	157.630	ml/mol	McGowan Calculated Property
Pc	2358.78	kPa	Joback Calculated Property
Inp	[1066.00; 1066.00]
Inp	1066.00		NIST
Inp	1066.00		NIST
Tboil	465.15 ± 4.00	K	NIST
Tc	686.53	K	Joback Calculated Property
Tfus	250.70	K	Joback Calculated Property
Vc	0.598	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[383.78; 460.72]	J/mol×K	[516.71; 686.53]
Cp,gas	383.78	J/mol×K	516.71	Joback Calculated Property
Cp,gas	398.19	J/mol×K	545.01	Joback Calculated Property
Cp,gas	411.92	J/mol×K	573.32	Joback Calculated Property
Cp,gas	425.02	J/mol×K	601.62	Joback Calculated Property
Cp,gas	437.50	J/mol×K	629.92	Joback Calculated Property
Cp,gas	449.39	J/mol×K	658.22	Joback Calculated Property
Cp,gas	460.72	J/mol×K	686.53	Joback Calculated Property
η	[0.0001136; 0.0899105]	Pa×s	[250.70; 516.71]
η	0.0899105	Pa×s	250.70	Joback Calculated Property
η	0.0128169	Pa×s	295.03	Joback Calculated Property
η	0.0030395	Pa×s	339.37	Joback Calculated Property
η	0.0010052	Pa×s	383.71	Joback Calculated Property
η	0.0004181	Pa×s	428.04	Joback Calculated Property
η	0.0002050	Pa×s	472.38	Joback Calculated Property
η	0.0001136	Pa×s	516.71	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[359.12; 489.80]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.64084e+01
Coefficient B			-4.65341e+03
Coefficient C			-7.04620e+01
Temperature range, min.			359.12
Temperature range, max.			489.80
Pvap	1.33	kPa	359.12	Calculated Property
Pvap	2.89	kPa	373.64	Calculated Property
Pvap	5.82	kPa	388.16	Calculated Property
Pvap	11.04	kPa	402.68	Calculated Property
Pvap	19.84	kPa	417.20	Calculated Property
Pvap	34.03	kPa	431.72	Calculated Property
Pvap	55.98	kPa	446.24	Calculated Property
Pvap	88.74	kPa	460.76	Calculated Property
Pvap	136.10	kPa	475.28	Calculated Property
Pvap	202.63	kPa	489.80	Calculated Property

Similar Compounds

Find more compounds similar to 4-Octanol, 4,7-dimethyl-.

Sources

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

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