Chemical Properties of (-)-(1R,3R,6S,10S)-3«alpha»-Hydroxyamorpha-4,7(11)-diene

InChI

InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7,10,13-16H,5-6,8H2,1-4H3/t10-,13-,14+,15+/m0/s1

InChI Key

DMKWBQROHUFGFK-BSLXNSKLSA-N

Formula

C15H24O

SMILES

CC1=CC2C(=C(C)C)CCC(C)C2CC1O

Molecular Weight¹

220.35

• 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°	53.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-312.33	kJ/mol	Joback Calculated Property
ΔfusH°	28.55	kJ/mol	Joback Calculated Property
ΔvapH°	67.38	kJ/mol	Joback Calculated Property
log10WS	-4.25		Crippen Calculated Property
logPoct/wat	3.696		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2034.55	kPa	Joback Calculated Property
Inp	[1666.00; 1666.00]
Inp	1666.00		NIST
Inp	1666.00		NIST
Inp	1666.00		NIST
Tboil	666.66	K	Joback Calculated Property
Tc	869.95	K	Joback Calculated Property
Tfus	342.63	K	Joback Calculated Property
Vc	0.745	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[578.39; 677.18]	J/mol×K	[666.66; 869.95]
Cp,gas	578.39	J/mol×K	666.66	Joback Calculated Property
Cp,gas	597.44	J/mol×K	700.54	Joback Calculated Property
Cp,gas	615.40	J/mol×K	734.42	Joback Calculated Property
Cp,gas	632.32	J/mol×K	768.31	Joback Calculated Property
Cp,gas	648.22	J/mol×K	802.19	Joback Calculated Property
Cp,gas	663.16	J/mol×K	836.07	Joback Calculated Property
Cp,gas	677.18	J/mol×K	869.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to (-)-(1R,3R,6S,10S)-3«alpha»-Hydroxyamorpha-4,7(11)-diene.

Sources

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

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