Chemical Properties of 3-Penten-1-ol, 4-methyl- (CAS 763-89-3)

InChI

InChI=1S/C6H12O/c1-6(2)4-3-5-7/h4,7H,3,5H2,1-2H3

InChI Key

FKKLUOCEIANSFL-UHFFFAOYSA-N

Formula

C6H12O

SMILES

CC(C)=CCCO

Molecular Weight¹

100.16

CAS

763-89-3

Other Names

• 4-Methyl-3-penten-1-ol
• 4-Methyl-3-pentenol
• 4-Methylpent-3-en-1-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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°	-65.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-211.97	kJ/mol	Joback Calculated Property
ΔfusH°	14.28	kJ/mol	Joback Calculated Property
ΔvapH°	45.67	kJ/mol	Joback Calculated Property
log10WS	-1.45		Crippen Calculated Property
logPoct/wat	1.335		Crippen Calculated Property
McVol	96.970	ml/mol	McGowan Calculated Property
Pc	3695.46	kPa	Joback Calculated Property
Inp	[868.00; 868.20]
Inp	868.20		NIST
Inp	868.00		NIST
Inp	868.00		NIST
Inp	868.20		NIST
I	[1375.00; 1390.00]
I	1375.00		NIST
I	1385.00		NIST
I	1375.00		NIST
I	1390.00		NIST
I	1390.00		NIST
I	1375.00		NIST
I	1390.00		NIST
Tboil	430.20	K	NIST
Tc	604.77	K	Joback Calculated Property
Tfus	199.16	K	Joback Calculated Property
Vc	0.371	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.73; 241.57]	J/mol×K	[432.90; 604.77]
Cp,gas	191.73	J/mol×K	432.90	Joback Calculated Property
Cp,gas	201.02	J/mol×K	461.54	Joback Calculated Property
Cp,gas	209.90	J/mol×K	490.19	Joback Calculated Property
Cp,gas	218.38	J/mol×K	518.83	Joback Calculated Property
Cp,gas	226.47	J/mol×K	547.48	Joback Calculated Property
Cp,gas	234.20	J/mol×K	576.12	Joback Calculated Property
Cp,gas	241.57	J/mol×K	604.77	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.16; 202.66]	kPa	[295.70; 454.32]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.59066e+01
Coefficient B			-4.17008e+03
Coefficient C			-6.07320e+01
Temperature range, min.			295.70
Temperature range, max.			454.32
Pvap	0.16	kPa	295.70	Calculated Property
Pvap	0.55	kPa	313.32	Calculated Property
Pvap	1.61	kPa	330.95	Calculated Property
Pvap	4.13	kPa	348.57	Calculated Property
Pvap	9.54	kPa	366.20	Calculated Property
Pvap	20.08	kPa	383.82	Calculated Property
Pvap	39.15	kPa	401.45	Calculated Property
Pvap	71.47	kPa	419.07	Calculated Property
Pvap	123.33	kPa	436.70	Calculated Property
Pvap	202.66	kPa	454.32	Calculated Property

Similar Compounds

Find more compounds similar to 3-Penten-1-ol, 4-methyl-.

Sources

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

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