Chemical Properties of 3-Acetoxygermacra-1(10),5-dien-4-ol

InChI

InChI=1S/C17H28O3/c1-12(2)15-8-6-13(3)7-9-16(20-14(4)18)17(5,19)11-10-15/h7,10-12,15-16,19H,6,8-9H2,1-5H3/b11-10+,13-7-/t15-,16?,17+/m0/s1

InChI Key

OWKZNKYCLMOXMD-HBQBMZAGSA-N

Formula

C17H28O3

SMILES

CC(=O)OC1CC=C(C)CCC(C(C)C)C=CC1(C)O

Molecular Weight¹

280.40

• 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°	-275.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-688.19	kJ/mol	Joback Calculated Property
ΔfusH°	24.47	kJ/mol	Joback Calculated Property
ΔvapH°	79.48	kJ/mol	Joback Calculated Property
log10WS	-4.41		Crippen Calculated Property
logPoct/wat	3.628		Crippen Calculated Property
McVol	244.240	ml/mol	McGowan Calculated Property
Pc	1790.91	kPa	Joback Calculated Property
Inp	[1902.00; 1902.00]
Inp	1902.00		NIST
Inp	1902.00		NIST
Tboil	787.22	K	Joback Calculated Property
Tc	998.79	K	Joback Calculated Property
Tfus	422.09	K	Joback Calculated Property
Vc	0.893	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[767.26; 869.80]	J/mol×K	[787.22; 998.79]
Cp,gas	767.26	J/mol×K	787.22	Joback Calculated Property
Cp,gas	786.67	J/mol×K	822.48	Joback Calculated Property
Cp,gas	805.06	J/mol×K	857.74	Joback Calculated Property
Cp,gas	822.50	J/mol×K	893.00	Joback Calculated Property
Cp,gas	839.06	J/mol×K	928.26	Joback Calculated Property
Cp,gas	854.81	J/mol×K	963.52	Joback Calculated Property
Cp,gas	869.80	J/mol×K	998.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Acetoxygermacra-1(10),5-dien-4-ol.

Sources

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

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