Chemical Properties of 3-Methylcyclopentanol (CAS 18729-48-1)

InChI

InChI=1S/C6H12O/c1-5-2-3-6(7)4-5/h5-7H,2-4H2,1H3

InChI Key

VEALHWXMCIRWGC-UHFFFAOYSA-N

Formula

C6H12O

SMILES

CC1CCC(O)C1

Molecular Weight¹

100.16

CAS

18729-48-1

Other Names

• 3-methylcyclopentanol, mixed isomers

• 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).
• 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_p : 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
ω	0.4672		Relay (1.0) Calculated Property
ΔfG°	-108.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-262.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.39	kJ/mol	Joback Calculated Property
ΔvapH°	62.89	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	-0.86		Relay (1.0) Calculated Property
logPoct/wat	1.167		Crippen Calculated Property
McVol	90.410	ml/mol	McGowan Calculated Property
Pc	4135.61	kPa	Joback Calculated Property
Inp	836.60		NIST
Ip	[1342.00; 1342.00]
Ip	1342.00		NIST
Ip	1342.00		NIST
Tboil	[421.70; 424.00]	K
Tboil	421.70	K	NIST
Tboil	424.00 ± 5.00	K	NIST
Tc	614.05	K	Relay (1.0) Calculated Property
Tfus	234.79	K	Relay (1.0) Calculated Property
Vc	0.328	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[114.30; 337.50]	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			-5.18200e+01
Coefficient B			7.13020e-01
Coefficient C			-4.05000e-04
Coefficient D			8.13000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	114.30	J/mol×K	273.00	Calculated Property
Cp,gas	153.34	J/mol×K	353.78	Calculated Property
Cp,gas	188.22	J/mol×K	434.56	Calculated Property
Cp,gas	219.19	J/mol×K	515.33	Calculated Property
Cp,gas	246.52	J/mol×K	596.11	Calculated Property
Cp,gas	270.47	J/mol×K	676.89	Calculated Property
Cp,gas	291.28	J/mol×K	757.67	Calculated Property
Cp,gas	309.22	J/mol×K	838.44	Calculated Property
Cp,gas	324.54	J/mol×K	919.22	Calculated Property
Cp,gas	337.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0399340; 0.0002982]	Pa×s	[224.86; 438.87]	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			-1.32632e+01
Coefficient B			2.25820e+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.			224.86
Temperature range, max.			438.87
η	0.0399340	Pa×s	224.86	Calculated Property
η	0.0152836	Pa×s	248.64	Calculated Property
η	0.0069171	Pa×s	272.42	Calculated Property
η	0.0035556	Pa×s	296.20	Calculated Property
η	0.0020177	Pa×s	319.98	Calculated Property
η	0.0012383	Pa×s	343.76	Calculated Property
η	0.0008096	Pa×s	367.53	Calculated Property
η	0.0005573	Pa×s	391.31	Calculated Property
η	0.0004004	Pa×s	415.09	Calculated Property
η	0.0002982	Pa×s	438.87	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[326.32; 448.99]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62850e+01
Coefficient B			-4.28654e+03
Coefficient C			-5.83690e+01
Temperature range, min.			326.32
Temperature range, max.			448.99
Pvap	1.33	kPa	326.32	Calculated Property
Pvap	2.89	kPa	339.95	Calculated Property
Pvap	5.84	kPa	353.58	Calculated Property
Pvap	11.09	kPa	367.21	Calculated Property
Pvap	19.93	kPa	380.84	Calculated Property
Pvap	34.17	kPa	394.47	Calculated Property
Pvap	56.17	kPa	408.10	Calculated Property
Pvap	88.96	kPa	421.73	Calculated Property
Pvap	136.27	kPa	435.36	Calculated Property
Pvap	202.63	kPa	448.99	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylcyclopentanol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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