Chemical Properties of 8«beta»(H)-Labdane

InChI

InChI=1S/C20H38/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h15-18H,7-14H2,1-6H3/t15-,16+,17?,18?,20+/m0/s1

InChI Key

LEWJAHURGICVRE-ZTYBHYHHSA-N

Formula

C20H38

SMILES

CCC(C)CCC1C(C)CCC2C(C)(C)CCCC12C

Molecular Weight¹

278.52

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4737		Relay (... Calculated Property
ΔfG°	154.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-336.83	kJ/mol	Relay (... Calculated Property
ΔfusH°	22.52	kJ/mol	Joback Calculated Property
ΔvapH°	79.08	kJ/mol	Relay (... Calculated Property
IE	8.77	eV	Relay (... Calculated Property
log10WS	-7.18		Relay (... Calculated Property
logPoct/wat	6.691		Crippen Calculated Property
McVol	270.940	ml/mol	McGowan Calculated Property
Pc	1294.86	kPa	Joback Calculated Property
Inp	[1875.00; 1875.00]
Inp	1875.00		NIST
Inp	1875.00		NIST
Tboil	588.65	K	Relay (... Calculated Property
Tc	798.17	K	Relay (... Calculated Property
Tfus	263.22	K	Relay (... Calculated Property
Vc	0.950	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[825.24; 973.68]	J/mol×K	[673.59; 881.66]
Cp,gas	825.24	J/mol×K	673.59	Joback Calculated Property
Cp,gas	852.22	J/mol×K	708.27	Joback Calculated Property
Cp,gas	878.03	J/mol×K	742.95	Joback Calculated Property
Cp,gas	902.88	J/mol×K	777.63	Joback Calculated Property
Cp,gas	926.97	J/mol×K	812.31	Joback Calculated Property
Cp,gas	950.50	J/mol×K	846.99	Joback Calculated Property
Cp,gas	973.68	J/mol×K	881.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 8«beta»(H)-Labdane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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