Chemical Properties of 3,5,1,7-[1,2,3,4]Butanetetraylnaphthalen-3(2H)-ol, octahydro (CAS 30651-03-7)

InChI

InChI=1S/C14H20O/c15-14-4-11-8-1-7-2-9(11)13(6-14)10(3-7)12(8)5-14/h7-13,15H,1-6H2

InChI Key

HLMNGNITCLNFFJ-UHFFFAOYSA-N

Formula

C14H20O

SMILES

OC12CC3C4CC5CC3C(C1)C(C5)C4C2

Molecular Weight¹

204.31

CAS

30651-03-7

Other Names

• Diamantan-4-ol

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-7932.50 ± 1.60	kJ/mol	NIST
ΔfH°gas	-317.10 ± 1.60	kJ/mol	NIST
ΔfH°solid	-435.00 ± 1.60	kJ/mol	NIST
ΔfusH°	25.79	kJ/mol	Joback Calculated Property
ΔsubH°	[117.80; 117.90]	kJ/mol
ΔsubH°	117.80 ± 0.20	kJ/mol	NIST
ΔsubH°	117.90	kJ/mol	NIST
ΔvapH°	82.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
logPoct/wat	2.440		Crippen Calculated Property
McVol	159.690	ml/mol	McGowan Calculated Property
Tfus	484.00 ± 1.00	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[513.33; 611.31]	J/mol×K	[627.56; 836.94]
Cp,gas	513.33	J/mol×K	627.56	Joback Calculated Property
Cp,gas	531.83	J/mol×K	662.46	Joback Calculated Property
Cp,gas	549.16	J/mol×K	697.35	Joback Calculated Property
Cp,gas	565.54	J/mol×K	732.25	Joback Calculated Property
Cp,gas	581.21	J/mol×K	767.15	Joback Calculated Property
Cp,gas	596.39	J/mol×K	802.04	Joback Calculated Property
Cp,gas	611.31	J/mol×K	836.94	Joback Calculated Property
ΔfusH	16.40	kJ/mol	484.00	NIST
ΔsubH	117.80 ± 0.20	kJ/mol	337.50	NIST

Similar Compounds

Find more compounds similar to 3,5,1,7-[1,2,3,4]Butanetetraylnaphthalen-3(2H)-ol, octahydro.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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