Chemical Properties of 3-Pentanol, 2,2,4,4-tetramethyl- (CAS 14609-79-1)

InChI

InChI=1S/C9H20O/c1-8(2,3)7(10)9(4,5)6/h7,10H,1-6H3

InChI Key

WFJSIIHYYLHRHB-UHFFFAOYSA-N

Formula

C9H20O

SMILES

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

Molecular Weight¹

144.25

CAS

14609-79-1

Other Names

• 2,2,4,4-Tetramethylpentan-3-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	4.80	kJ/mol	Joback Calculated Property
ΔvapH°	62.70 ± 0.90	kJ/mol	NIST
log10WS	-2.25		Relay (1.0) Calculated Property
logPoct/wat	2.440		Crippen Calculated Property
McVol	143.540	ml/mol	McGowan Calculated Property
Tboil	[437.15; 442.65]	K
Tboil	439.00 ± 5.00	K	NIST
Tboil	Outlier 442.65 ± 4.00	K	NIST
Tboil	439.15 ± 4.00	K	NIST
Tboil	437.65 ± 3.00	K	NIST
Tboil	438.65 ± 4.00	K	NIST
Tboil	437.15 ± 5.00	K	NIST
Tboil	438.65 ± 4.00	K	NIST
Tfus	[320.15; 325.00]	K
Tfus	325.00 ± 3.00	K	NIST
Tfus	325.00 ± 3.00	K	NIST
Tfus	320.15 ± 2.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[340.37; 417.33]	J/mol×K	[490.80; 671.99]
Cp,gas	340.37	J/mol×K	490.80	Joback Calculated Property
Cp,gas	355.13	J/mol×K	521.00	Joback Calculated Property
Cp,gas	369.06	J/mol×K	551.20	Joback Calculated Property
Cp,gas	382.20	J/mol×K	581.39	Joback Calculated Property
Cp,gas	394.60	J/mol×K	611.59	Joback Calculated Property
Cp,gas	406.29	J/mol×K	641.79	Joback Calculated Property
Cp,gas	417.33	J/mol×K	671.99	Joback Calculated Property
η	[0.0001391; 0.1725436]	Pa×s	[241.85; 490.80]
η	0.1725436	Pa×s	241.85	Joback Calculated Property
η	0.0220695	Pa×s	283.34	Joback Calculated Property
η	0.0047735	Pa×s	324.83	Joback Calculated Property
η	0.0014606	Pa×s	366.32	Joback Calculated Property
η	0.0005687	Pa×s	407.82	Joback Calculated Property
η	0.0002635	Pa×s	449.31	Joback Calculated Property
η	0.0001391	Pa×s	490.80	Joback Calculated Property
ΔfusH	7.30	kJ/mol	322.00	NIST

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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