Chemical Properties of 3-Pentanol, 2,3,4-trimethyl- (CAS 3054-92-0)

InChI

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

InChI Key

PLSMHHUFDLYURK-UHFFFAOYSA-N

Formula

C8H18O

SMILES

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

Molecular Weight¹

130.23

CAS

3054-92-0

Other Names

• 1,1-Diisopropylethanol
• 2,3,4-Trimethyl-3-pentanol

• 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).
• 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°	-122.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-379.99	kJ/mol	Joback Calculated Property
ΔfusH°	6.10	kJ/mol	Joback Calculated Property
ΔvapH°	48.01	kJ/mol	Joback Calculated Property
log10WS	-2.06		Crippen Calculated Property
logPoct/wat	2.049		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2893.62	kPa	Joback Calculated Property
Tboil	[429.65; 429.65]	K
Tboil	429.65 ± 3.00	K	NIST
Tboil	429.65 ± 3.00	K	NIST
Tc	646.51	K	Joback Calculated Property
Tfus	213.16	K	Joback Calculated Property
Vc	0.479	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[293.13; 363.24]	J/mol×K	[470.51; 646.51]
Cp,gas	293.13	J/mol×K	470.51	Joback Calculated Property
Cp,gas	306.34	J/mol×K	499.84	Joback Calculated Property
Cp,gas	318.90	J/mol×K	529.18	Joback Calculated Property
Cp,gas	330.85	J/mol×K	558.51	Joback Calculated Property
Cp,gas	342.21	J/mol×K	587.85	Joback Calculated Property
Cp,gas	353.00	J/mol×K	617.18	Joback Calculated Property
Cp,gas	363.24	J/mol×K	646.51	Joback Calculated Property
η	[0.0001639; 0.4662578]	Pa×s	[213.16; 470.51]
η	0.4662578	Pa×s	213.16	Joback Calculated Property
η	0.0408132	Pa×s	256.05	Joback Calculated Property
η	0.0071866	Pa×s	298.94	Joback Calculated Property
η	0.0019567	Pa×s	341.84	Joback Calculated Property
η	0.0007121	Pa×s	384.73	Joback Calculated Property
η	0.0003174	Pa×s	427.62	Joback Calculated Property
η	0.0001639	Pa×s	470.51	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[316.46; 455.36]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.72975e+01
Coefficient B			-5.63683e+03
Coefficient C			1.49230e+01
Temperature range, min.			316.46
Temperature range, max.			455.36
Pvap	1.33	kPa	316.46	Calculated Property
Pvap	2.84	kPa	331.89	Calculated Property
Pvap	5.68	kPa	347.33	Calculated Property
Pvap	10.73	kPa	362.76	Calculated Property
Pvap	19.27	kPa	378.19	Calculated Property
Pvap	33.13	kPa	393.63	Calculated Property
Pvap	54.74	kPa	409.06	Calculated Property
Pvap	87.32	kPa	424.49	Calculated Property
Pvap	134.94	kPa	439.93	Calculated Property
Pvap	202.65	kPa	455.36	Calculated Property

Similar Compounds

Find more compounds similar to 3-Pentanol, 2,3,4-trimethyl-.

Sources

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

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