Chemical Properties of m-Cymen-8-ol (CAS 5208-37-7)

InChI

InChI=1S/C10H14O/c1-8-5-4-6-9(7-8)10(2,3)11/h4-7,11H,1-3H3

InChI Key

NARIBLVZTLPQJB-UHFFFAOYSA-N

Formula

C10H14O

SMILES

Cc1cccc(C(C)(C)O)c1

Molecular Weight¹

150.22

CAS

5208-37-7

• 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_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	0.5972		Relay (1.0) Calculated Property
ΔfG°	2.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-202.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.98	kJ/mol	Joback Calculated Property
ΔvapH°	71.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-1.70		Relay (1.0) Calculated Property
logPoct/wat	2.222		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Pc	3261.58	kPa	Joback Calculated Property
Inp	[1148.00; 1187.00]
Inp	1187.00		NIST
Inp	1180.00		NIST
Inp	1182.00		NIST
Inp	1185.00		NIST
Inp	1155.00		NIST
Inp	1185.80		NIST
Inp	1182.00		NIST
Inp	1180.00		NIST
Inp	1160.00		NIST
Inp	1180.00		NIST
Inp	1180.00		NIST
Inp	1180.00		NIST
Inp	1180.00		NIST
Inp	1180.00		NIST
Inp	1187.00		NIST
Inp	1185.00		NIST
Inp	1185.80		NIST
Inp	1185.00		NIST
Inp	1180.00		NIST
Inp	Outlier 1153.00		NIST
Inp	1155.00		NIST
Inp	1169.00		NIST
Inp	1155.00		NIST
Inp	1180.00		NIST
Inp	1187.00		NIST
Inp	1180.00		NIST
Inp	1180.00		NIST
Inp	Outlier 1148.00		NIST
Inp	1180.00		NIST
Inp	1180.00		NIST
Inp	1170.00		NIST
Ip	[1804.00; 1856.00]
Ip	1838.00		NIST
Ip	1804.00		NIST
Ip	1804.00		NIST
Ip	1843.00		NIST
Ip	1845.00		NIST
Ip	1838.00		NIST
Ip	1856.00		NIST
Ip	1856.00		NIST
Ip	1849.00		NIST
Ip	1856.00		NIST
Tboil	482.95	K	Relay (1.0) Calculated Property
Tc	710.50	K	Relay (1.0) Calculated Property
Tfus	302.84	K	Relay (1.0) Calculated Property
Vc	0.494	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.96; 433.81]	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			-4.49900e+01
Coefficient B			9.75260e-01
Coefficient C			-6.86560e-04
Coefficient D			1.90100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.96	J/mol×K	273.00	Calculated Property
Cp,gas	222.52	J/mol×K	353.78	Calculated Property
Cp,gas	264.77	J/mol×K	434.56	Calculated Property
Cp,gas	301.28	J/mol×K	515.33	Calculated Property
Cp,gas	332.67	J/mol×K	596.11	Calculated Property
Cp,gas	359.54	J/mol×K	676.89	Calculated Property
Cp,gas	382.49	J/mol×K	757.67	Calculated Property
Cp,gas	402.12	J/mol×K	838.44	Calculated Property
Cp,gas	419.02	J/mol×K	919.22	Calculated Property
Cp,gas	433.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0100992; 0.0001198]	Pa×s	[304.64; 527.89]	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			-1.50809e+01
Coefficient B			3.19433e+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.			304.64
Temperature range, max.			527.89
η	0.0100992	Pa×s	304.64	Calculated Property
η	0.0045857	Pa×s	329.45	Calculated Property
η	0.0023256	Pa×s	354.25	Calculated Property
η	0.0012890	Pa×s	379.06	Calculated Property
η	0.0007682	Pa×s	403.86	Calculated Property
η	0.0004861	Pa×s	428.67	Calculated Property
η	0.0003233	Pa×s	453.48	Calculated Property
η	0.0002244	Pa×s	478.28	Calculated Property
η	0.0001614	Pa×s	503.09	Calculated Property
η	0.0001198	Pa×s	527.89	Calculated Property

Similar Compounds

Find more compounds similar to m-Cymen-8-ol.

Sources

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

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