Chemical Properties of Cymen-9-ol

InChI

InChI=1S/C11H16O/c1-9-4-6-10(7-5-9)11(2,3)8-12/h4-7,12H,8H2,1-3H3

InChI Key

KJEGOACBZWCEBD-UHFFFAOYSA-N

Formula

C11H16O

SMILES

Cc1ccc(C(C)(C)CO)cc1

Molecular Weight¹

164.25

• 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).
• 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
ω	0.6185		Relay (1.0) Calculated Property
ΔfG°	10.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-201.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.57	kJ/mol	Joback Calculated Property
ΔvapH°	79.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-2.65		Relay (1.0) Calculated Property
logPoct/wat	2.265		Crippen Calculated Property
McVol	147.960	ml/mol	McGowan Calculated Property
Pc	2931.34	kPa	Joback Calculated Property
I	[2094.00; 2094.00]
I	2094.00		NIST
I	2094.00		NIST
Tboil	531.74	K	Relay (1.0) Calculated Property
Tc	747.12	K	Relay (1.0) Calculated Property
Tfus	312.13	K	Relay (1.0) Calculated Property
Vc	0.521	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.17; 485.40]	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			-4.58990e+01
Coefficient B			1.07026e+00
Coefficient C			-7.40960e-04
Coefficient D			2.02000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.17	J/mol×K	273.00	Calculated Property
Cp,gas	248.94	J/mol×K	353.78	Calculated Property
Cp,gas	295.84	J/mol×K	434.56	Calculated Property
Cp,gas	336.51	J/mol×K	515.33	Calculated Property
Cp,gas	371.58	J/mol×K	596.11	Calculated Property
Cp,gas	401.70	J/mol×K	676.89	Calculated Property
Cp,gas	427.51	J/mol×K	757.67	Calculated Property
Cp,gas	449.63	J/mol×K	838.44	Calculated Property
Cp,gas	468.72	J/mol×K	919.22	Calculated Property
Cp,gas	485.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0083872; 0.0001094]	Pa×s	[315.91; 541.78]	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			-1.51906e+01
Coefficient B			3.28849e+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.			315.91
Temperature range, max.			541.78
η	0.0083872	Pa×s	315.91	Calculated Property
η	0.0038986	Pa×s	341.01	Calculated Property
η	0.0020129	Pa×s	366.10	Calculated Property
η	0.0011313	Pa×s	391.20	Calculated Property
η	0.0006815	Pa×s	416.29	Calculated Property
η	0.0004349	Pa×s	441.39	Calculated Property
η	0.0002913	Pa×s	466.49	Calculated Property
η	0.0002033	Pa×s	491.58	Calculated Property
η	0.0001469	Pa×s	516.68	Calculated Property
η	0.0001094	Pa×s	541.78	Calculated Property

Similar Compounds

Find more compounds similar to Cymen-9-ol.

Sources

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

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