Chemical Properties of 4-Penten-1-ol, 2-methyl- (CAS 5673-98-3)

InChI

InChI=1S/C6H12O/c1-3-4-6(2)5-7/h3,6-7H,1,4-5H2,2H3

InChI Key

CTHUAOGQNZSMMC-UHFFFAOYSA-N

Formula

C6H12O

SMILES

C=CCC(C)CO

Molecular Weight¹

100.16

CAS

5673-98-3

Other Names

• 2-methyl-4-penten-1-ol

• 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).
• 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°	-51.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-199.25	kJ/mol	Joback Calculated Property
ΔfusH°	10.58	kJ/mol	Joback Calculated Property
ΔvapH°	44.57	kJ/mol	Joback Calculated Property
log10WS	-1.21		Crippen Calculated Property
logPoct/wat	1.191		Crippen Calculated Property
McVol	96.970	ml/mol	McGowan Calculated Property
Pc	3664.21	kPa	Joback Calculated Property
I	[1375.00; 1375.00]
I	1375.00		NIST
I	1375.00		NIST
Tboil	425.10	K	Joback Calculated Property
Tc	592.88	K	Joback Calculated Property
Tfus	201.44	K	Joback Calculated Property
Vc	0.365	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.23; 241.94]	J/mol×K	[425.10; 592.88]
Cp,gas	192.23	J/mol×K	425.10	Joback Calculated Property
Cp,gas	201.41	J/mol×K	453.06	Joback Calculated Property
Cp,gas	210.23	J/mol×K	481.03	Joback Calculated Property
Cp,gas	218.68	J/mol×K	508.99	Joback Calculated Property
Cp,gas	226.77	J/mol×K	536.95	Joback Calculated Property
Cp,gas	234.52	J/mol×K	564.91	Joback Calculated Property
Cp,gas	241.94	J/mol×K	592.88	Joback Calculated Property
η	[0.0002428; 0.1985438]	Pa×s	[201.44; 425.10]
η	0.1985438	Pa×s	201.44	Joback Calculated Property
η	0.0271287	Pa×s	238.72	Joback Calculated Property
η	0.0063461	Pa×s	275.99	Joback Calculated Property
η	0.0020977	Pa×s	313.27	Joback Calculated Property
η	0.0008774	Pa×s	350.55	Joback Calculated Property
η	0.0004340	Pa×s	387.82	Joback Calculated Property
η	0.0002428	Pa×s	425.10	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[317.32; 452.13]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50131e+01
Coefficient B			-3.83367e+03
Coefficient C			-5.69790e+01
Temperature range, min.			317.32
Temperature range, max.			452.13
Pvap	1.33	kPa	317.32	Calculated Property
Pvap	2.97	kPa	332.30	Calculated Property
Pvap	6.09	kPa	347.28	Calculated Property
Pvap	11.65	kPa	362.26	Calculated Property
Pvap	20.96	kPa	377.24	Calculated Property
Pvap	35.78	kPa	392.21	Calculated Property
Pvap	58.35	kPa	407.19	Calculated Property
Pvap	91.42	kPa	422.17	Calculated Property
Pvap	138.26	kPa	437.15	Calculated Property
Pvap	202.63	kPa	452.13	Calculated Property

Similar Compounds

Find more compounds similar to 4-Penten-1-ol, 2-methyl-.

Sources

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

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