Chemical Properties of 1,4-Cyclohexadiene-1-methanol, 4-(1-methylethyl)- (CAS 22539-72-6)

InChI

InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,6,8,11H,4-5,7H2,1-2H3

InChI Key

IRZQJXCCKXGQFV-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC(C)C1=CCC(CO)=CC1

Molecular Weight¹

152.23

CAS

22539-72-6

Other Names

• p-Mentha-1,4-dien-7-ol
• 1,4-p-Menthadien-7-ol
• 1-Methoxy-4-1(methyl ethyl)-cyclohexane-1,4-dione

• 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).
• 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°	-33.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-239.96	kJ/mol	Joback Calculated Property
ΔfusH°	14.65	kJ/mol	Joback Calculated Property
ΔvapH°	56.79	kJ/mol	Joback Calculated Property
log10WS	-2.63		Crippen Calculated Property
logPoct/wat	2.281		Crippen Calculated Property
McVol	138.170	ml/mol	McGowan Calculated Property
Pc	3093.29	kPa	Joback Calculated Property
Inp	[1315.00; 1333.00]
Inp	1333.00		NIST
Inp	1329.50		NIST
Inp	1332.00		NIST
Inp	1315.00		NIST
Inp	1315.00		NIST
I	[2065.00; 2073.00]
I	2073.00		NIST
I	2073.00		NIST
I	2073.00		NIST
I	2073.00		NIST
I	2073.00		NIST
I	2073.00		NIST
I	2073.00		NIST
I	2073.00		NIST
I	Outlier 2065.00		NIST
I	2073.00		NIST
I	2073.00		NIST
I	2073.00		NIST
Tboil	552.44	K	Joback Calculated Property
Tc	748.10	K	Joback Calculated Property
Tfus	286.46	K	Joback Calculated Property
Vc	0.514	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[330.66; 402.32]	J/mol×K	[552.44; 748.10]
Cp,gas	330.66	J/mol×K	552.44	Joback Calculated Property
Cp,gas	344.29	J/mol×K	585.05	Joback Calculated Property
Cp,gas	357.21	J/mol×K	617.66	Joback Calculated Property
Cp,gas	369.45	J/mol×K	650.27	Joback Calculated Property
Cp,gas	381.03	J/mol×K	682.88	Joback Calculated Property
Cp,gas	391.98	J/mol×K	715.49	Joback Calculated Property
Cp,gas	402.32	J/mol×K	748.10	Joback Calculated Property
η	[0.0000941; 0.0168754]	Pa×s	[286.46; 552.44]
η	0.0168754	Pa×s	286.46	Joback Calculated Property
η	0.0039809	Pa×s	330.79	Joback Calculated Property
η	0.0013212	Pa×s	375.12	Joback Calculated Property
η	0.0005536	Pa×s	419.45	Joback Calculated Property
η	0.0002739	Pa×s	463.78	Joback Calculated Property
η	0.0001533	Pa×s	508.11	Joback Calculated Property
η	0.0000941	Pa×s	552.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Cyclohexadiene-1-methanol, 4-(1-methylethyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.