Chemical Properties of 4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-,(4«alpha»,4a«alpha»,8a«beta»)- (CAS 19700-21-1)

InChI

InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m1/s1

InChI Key

JLPUXFOGCDVKGO-GRYCIOLGSA-N

Formula

C12H22O

SMILES

CC1CCCC2(C)CCCCC12O

Molecular Weight¹

182.30

CAS

19700-21-1

Other Names

• 4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, [4S-(4«alpha»,4a«alpha»,8a«beta»)]-
• Geosmin
• 4a-«alpha»-(2H)-Naphthol, octahydro-4-«alpha»,8a-«beta»-dimethyl-
• [4S-(4«alpha»,4a«alpha»,8a«beta»)]-octahydro-4,8a-dimethyl-4a(2H)-naphthol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	-32.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-312.14	kJ/mol	Joback Calculated Property
ΔfusH°	7.27	kJ/mol	Joback Calculated Property
ΔvapH°	56.89	kJ/mol	Joback Calculated Property
log10WS	-3.53		Crippen Calculated Property
logPoct/wat	3.118		Crippen Calculated Property
McVol	164.090	ml/mol	McGowan Calculated Property
Pc	2887.40	kPa	Joback Calculated Property
Inp	[1384.00; 1444.00]
Inp	1430.00		NIST
Inp	1439.00		NIST
Inp	1423.00		NIST
Inp	1430.00		NIST
Inp	1431.00		NIST
Inp	1417.00		NIST
Inp	1444.00		NIST
Inp	1423.00		NIST
Inp	1384.00		NIST
Inp	1384.00		NIST
I	[1789.00; 1858.00]
I	1821.00		NIST
I	1808.00		NIST
I	1823.00		NIST
I	1810.00		NIST
I	Outlier 1858.00		NIST
I	1789.00		NIST
I	1789.00		NIST
Tboil	592.51	K	Joback Calculated Property
Tc	808.40	K	Joback Calculated Property
Tfus	351.18	K	Joback Calculated Property
Vc	0.604	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[454.91; 556.93]	J/mol×K	[592.51; 808.40]
Cp,gas	454.91	J/mol×K	592.51	Joback Calculated Property
Cp,gas	474.02	J/mol×K	628.49	Joback Calculated Property
Cp,gas	491.99	J/mol×K	664.47	Joback Calculated Property
Cp,gas	509.04	J/mol×K	700.46	Joback Calculated Property
Cp,gas	525.40	J/mol×K	736.44	Joback Calculated Property
Cp,gas	541.29	J/mol×K	772.42	Joback Calculated Property
Cp,gas	556.93	J/mol×K	808.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-,(4«alpha»,4a«alpha»,8a«beta»)-.

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.