Chemical Properties of (E)-15,16-Dinorlabda-8(17),12-dien-14-al (CAS 167817-63-2)

InChI

InChI=1S/C18H28O/c1-14-9-10-16-17(2,3)11-7-12-18(16,4)15(14)8-5-6-13-19/h5-6,13,15-16H,1,7-12H2,2-4H3/b6-5+

InChI Key

UMOQQBYJZPZYPC-AATRIKPKSA-N

Formula

C18H28O

SMILES

C=C1CCC2C(C)(C)CCCC2(C)C1CC=CC=O

Molecular Weight¹

260.41

CAS

167817-63-2

• 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°	181.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-188.21	kJ/mol	Joback Calculated Property
ΔfusH°	21.12	kJ/mol	Joback Calculated Property
ΔvapH°	60.09	kJ/mol	Joback Calculated Property
log10WS	-5.17		Crippen Calculated Property
logPoct/wat	4.930		Crippen Calculated Property
McVol	235.730	ml/mol	McGowan Calculated Property
Pc	1711.78	kPa	Joback Calculated Property
Inp	[1948.00; 1967.40]
Inp	1967.40		NIST
Inp	1967.40		NIST
Inp	1948.00		NIST
Inp	1948.00		NIST
Tboil	684.92	K	Joback Calculated Property
Tc	907.53	K	Joback Calculated Property
Tfus	404.34	K	Joback Calculated Property
Vc	0.900	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[691.60; 817.75]	J/mol×K	[684.92; 907.53]
Cp,gas	691.60	J/mol×K	684.92	Joback Calculated Property
Cp,gas	714.07	J/mol×K	722.02	Joback Calculated Property
Cp,gas	735.62	J/mol×K	759.12	Joback Calculated Property
Cp,gas	756.51	J/mol×K	796.23	Joback Calculated Property
Cp,gas	776.99	J/mol×K	833.33	Joback Calculated Property
Cp,gas	797.31	J/mol×K	870.43	Joback Calculated Property
Cp,gas	817.75	J/mol×K	907.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-15,16-Dinorlabda-8(17),12-dien-14-al.

Sources

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

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