Chemical Properties of 3,4,4-Trimethyl-1-penten-3-ol (CAS 3732-61-4)

InChI

InChI=1S/C8H16O/c1-6-8(5,9)7(2,3)4/h6,9H,1H2,2-5H3

InChI Key

VHCAZBIUJQZQCZ-UHFFFAOYSA-N

Formula

C8H16O

SMILES

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

Molecular Weight¹

128.21

CAS

3732-61-4

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical 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

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[174.96; 425.15]	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			-5.10300e+01
Coefficient B			1.02948e+00
Coefficient C			-8.08300e-04
Coefficient D			2.55000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.96	J/mol×K	273.00	Calculated Property
Cp,gas	223.30	J/mol×K	353.78	Calculated Property
Cp,gas	264.62	J/mol×K	434.56	Calculated Property
Cp,gas	299.73	J/mol×K	515.33	Calculated Property
Cp,gas	329.44	J/mol×K	596.11	Calculated Property
Cp,gas	354.55	J/mol×K	676.89	Calculated Property
Cp,gas	375.87	J/mol×K	757.67	Calculated Property
Cp,gas	394.21	J/mol×K	838.44	Calculated Property
Cp,gas	410.36	J/mol×K	919.22	Calculated Property
Cp,gas	425.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0975868; 0.0002266]	Pa×s	[243.82; 453.41]	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			-1.54483e+01
Coefficient B			3.19923e+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.			243.82
Temperature range, max.			453.41
η	0.0975868	Pa×s	243.82	Calculated Property
η	0.0310866	Pa×s	267.11	Calculated Property
η	0.0118970	Pa×s	290.40	Calculated Property
η	0.0052509	Pa×s	313.68	Calculated Property
η	0.0025950	Pa×s	336.97	Calculated Property
η	0.0014048	Pa×s	360.26	Calculated Property
η	0.0008193	Pa×s	383.55	Calculated Property
η	0.0005082	Pa×s	406.83	Calculated Property
η	0.0003320	Pa×s	430.12	Calculated Property
η	0.0002266	Pa×s	453.41	Calculated Property

Similar Compounds

Find more compounds similar to 3,4,4-Trimethyl-1-penten-3-ol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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