Chemical Properties of 3,4,4-Trimethyl-3-pentanol (CAS 7294-05-5)

InChI

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

InChI Key

KLIHWYNSISMOMR-UHFFFAOYSA-N

Formula

C8H18O

SMILES

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

Molecular Weight¹

130.23

CAS

7294-05-5

Other Names

• 2,2,3-Trimethyl-3-pentanol
• 2,2,3-trimethylpentan-3-ol
• 3-Pentanol, 2,2,3-trimethyl-

• 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).
• I : 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°	-114.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-378.18	kJ/mol	Joback Calculated Property
ΔfusH°	5.74	kJ/mol	Joback Calculated Property
ΔvapH°	47.49	kJ/mol	Joback Calculated Property
log10WS	-1.27		Aq. Sol...
logPoct/wat	2.194		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2902.98	kPa	Joback Calculated Property
I	[1264.00; 1289.00]
I	1264.00		NIST
I	1289.00		NIST
I	1264.00		NIST
Tboil	[423.65; 426.65]	K
Tboil	426.65 ± 3.00	K	NIST
Tboil	423.65 ± 3.00	K	NIST
Tc	647.15	K	Joback Calculated Property
Tfus	245.58	K	Joback Calculated Property
Vc	0.480	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[295.54; 366.61]	J/mol×K	[468.16; 647.15]
Cp,gas	295.54	J/mol×K	468.16	Joback Calculated Property
Cp,gas	309.17	J/mol×K	497.99	Joback Calculated Property
Cp,gas	322.04	J/mol×K	527.82	Joback Calculated Property
Cp,gas	334.18	J/mol×K	557.66	Joback Calculated Property
Cp,gas	345.63	J/mol×K	587.49	Joback Calculated Property
Cp,gas	356.43	J/mol×K	617.32	Joback Calculated Property
Cp,gas	366.61	J/mol×K	647.15	Joback Calculated Property
η	[0.0001847; 0.1025795]	Pa×s	[245.58; 468.16]
η	0.1025795	Pa×s	245.58	Joback Calculated Property
η	0.0179252	Pa×s	282.68	Joback Calculated Property
η	0.0046951	Pa×s	319.77	Joback Calculated Property
η	0.0016247	Pa×s	356.87	Joback Calculated Property
η	0.0006866	Pa×s	393.97	Joback Calculated Property
η	0.0003365	Pa×s	431.06	Joback Calculated Property
η	0.0001847	Pa×s	468.16	Joback Calculated Property
ΔvapH	47.30	kJ/mol	372.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[318.55; 452.27]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.57549e+01
Coefficient B			-4.29960e+03
Coefficient C			-4.05700e+01
Temperature range, min.			318.55
Temperature range, max.			452.27
Pvap	1.33	kPa	318.55	Calculated Property
Pvap	2.92	kPa	333.41	Calculated Property
Pvap	5.94	kPa	348.27	Calculated Property
Pvap	11.30	kPa	363.12	Calculated Property
Pvap	20.33	kPa	377.98	Calculated Property
Pvap	34.79	kPa	392.84	Calculated Property
Pvap	57.02	kPa	407.70	Calculated Property
Pvap	89.92	kPa	422.55	Calculated Property
Pvap	137.05	kPa	437.41	Calculated Property
Pvap	202.63	kPa	452.27	Calculated Property

Similar Compounds

Find more compounds similar to 3,4,4-Trimethyl-3-pentanol.

Sources

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

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