Chemical Properties of Thujopsan-2-«alpha»-ol

InChI

InChI=1S/C15H26O/c1-12(2)6-5-7-13(3)8-9-14(4,16)11-10-15(11,12)13/h11,16H,5-10H2,1-4H3/t11-,13-,14-,15-/m0/s1

InChI Key

YTLMZAPWDFQBAI-MXAVVETBSA-N

Formula

C15H26O

SMILES

CC1(O)CCC2(C)CCCC(C)(C)C23CC13

Molecular Weight¹

222.37

• 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.
• 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°	59.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-278.80	kJ/mol	Joback Calculated Property
ΔfusH°	5.85	kJ/mol	Joback Calculated Property
ΔvapH°	60.52	kJ/mol	Joback Calculated Property
log10WS	-4.19		Crippen Calculated Property
logPoct/wat	3.754		Crippen Calculated Property
McVol	195.500	ml/mol	McGowan Calculated Property
Pc	2470.27	kPa	Joback Calculated Property
Inp	[1587.00; 1589.00]
Inp	1589.00		NIST
Inp	1587.00		NIST
Inp	1587.00		NIST
Inp	1589.00		NIST
Tboil	655.16	K	Joback Calculated Property
Tc	876.31	K	Joback Calculated Property
Tfus	453.53	K	Joback Calculated Property
Vc	0.740	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[590.59; 709.02]	J/mol×K	[655.16; 876.31]
Cp,gas	590.59	J/mol×K	655.16	Joback Calculated Property
Cp,gas	610.07	J/mol×K	692.02	Joback Calculated Property
Cp,gas	629.03	J/mol×K	728.88	Joback Calculated Property
Cp,gas	647.94	J/mol×K	765.73	Joback Calculated Property
Cp,gas	667.27	J/mol×K	802.59	Joback Calculated Property
Cp,gas	687.47	J/mol×K	839.45	Joback Calculated Property
Cp,gas	709.02	J/mol×K	876.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Thujopsan-2-«alpha»-ol.

Sources

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

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