Chemical Properties of 3,4-Dimethylcyclohexanol (CAS 5715-23-1)

InChI

InChI=1S/C8H16O/c1-6-3-4-8(9)5-7(6)2/h6-9H,3-5H2,1-2H3

InChI Key

ZBAXJUPCYVIBSP-UHFFFAOYSA-N

Formula

C8H16O

SMILES

CC1CCC(O)CC1C

Molecular Weight¹

128.21

CAS

5715-23-1

Other Names

• 3,4-dimethylcyclohexan-1-ol
• Cyclohexanol, 3,4-dimethyl-

• 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_np : Non-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°	-111.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-347.04	kJ/mol	Joback Calculated Property
ΔfusH°	14.54	kJ/mol	Joback Calculated Property
ΔvapH°	49.89	kJ/mol	Joback Calculated Property
log10WS	-1.96		Crippen Calculated Property
logPoct/wat	1.803		Crippen Calculated Property
McVol	118.590	ml/mol	McGowan Calculated Property
Pc	3246.73	kPa	Joback Calculated Property
Inp	1126.00		NIST
Tboil	[461.40; 462.20]	K
Tboil	462.20	K	NIST
Tboil	461.40 ± 3.00	K	NIST
Tc	674.82	K	Joback Calculated Property
Tfus	239.64	K	Joback Calculated Property
Vc	0.433	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[276.01; 359.03]	J/mol×K	[484.83; 674.82]
Cp,gas	276.01	J/mol×K	484.83	Joback Calculated Property
Cp,gas	291.52	J/mol×K	516.49	Joback Calculated Property
Cp,gas	306.35	J/mol×K	548.16	Joback Calculated Property
Cp,gas	320.50	J/mol×K	579.82	Joback Calculated Property
Cp,gas	334.00	J/mol×K	611.49	Joback Calculated Property
Cp,gas	346.84	J/mol×K	643.15	Joback Calculated Property
Cp,gas	359.03	J/mol×K	674.82	Joback Calculated Property
η	[0.0002017; 0.0327662]	Pa×s	[239.64; 484.83]
η	0.0327662	Pa×s	239.64	Joback Calculated Property
η	0.0075606	Pa×s	280.50	Joback Calculated Property
η	0.0025331	Pa×s	321.37	Joback Calculated Property
η	0.0010862	Pa×s	362.24	Joback Calculated Property
η	0.0005530	Pa×s	403.10	Joback Calculated Property
η	0.0003188	Pa×s	443.97	Joback Calculated Property
η	0.0002017	Pa×s	484.83	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[354.72; 487.41]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.61057e+01
Coefficient B			-4.50961e+03
Coefficient C			-6.96280e+01
Temperature range, min.			354.72
Temperature range, max.			487.41
Pvap	1.33	kPa	354.72	Calculated Property
Pvap	2.90	kPa	369.46	Calculated Property
Pvap	5.87	kPa	384.21	Calculated Property
Pvap	11.16	kPa	398.95	Calculated Property
Pvap	20.06	kPa	413.69	Calculated Property
Pvap	34.38	kPa	428.44	Calculated Property
Pvap	56.45	kPa	443.18	Calculated Property
Pvap	89.28	kPa	457.92	Calculated Property
Pvap	136.54	kPa	472.67	Calculated Property
Pvap	202.65	kPa	487.41	Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dimethylcyclohexanol.

Sources

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

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