Chemical Properties of Supraene (CAS 7683-64-9)

InChI

InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3

InChI Key

YYGNTYWPHWGJRM-UHFFFAOYSA-N

Formula

C30H50

SMILES

CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C

Molecular Weight¹

410.72

CAS

7683-64-9

Other Names

• 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-
• Spinacene
• 2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene
• Squalene

• 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.
• I : 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°	631.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-17.95	kJ/mol	Joback Calculated Property
ΔfusH°	66.81	kJ/mol	Joback Calculated Property
ΔvapH°	82.60	kJ/mol	Joback Calculated Property
log10WS	-11.50		Crippen Calculated Property
logPoct/wat	10.605		Crippen Calculated Property
McVol	407.760	ml/mol	McGowan Calculated Property
Pc	708.84	kPa	Joback Calculated Property
Inp	[446.90; 2839.00]
Inp	2817.00		NIST
Inp	2831.10		NIST
Inp	2815.40		NIST
Inp	2822.00		NIST
Inp	2818.00		NIST
Inp	2797.00		NIST
Inp	2803.00		NIST
Inp	2805.00		NIST
Inp	2828.00		NIST
Inp	2834.00		NIST
Inp	2812.00		NIST
Inp	2829.00		NIST
Inp	2795.30		NIST
Inp	2823.00		NIST
Inp	2838.00		NIST
Inp	2790.00		NIST
Inp	2808.00		NIST
Inp	2839.00		NIST
Inp	2835.00		NIST
Inp	2829.00		NIST
Inp	2828.00		NIST
Inp	2817.00		NIST
Inp	2835.00		NIST
Inp	462.10		NIST
Inp	463.00		NIST
Inp	463.10		NIST
Inp	454.30		NIST
Inp	459.40		NIST
Inp	454.90		NIST
Inp	462.40		NIST
Inp	446.90		NIST
Inp	2831.10		NIST
Inp	2803.00		NIST
Inp	2834.00		NIST
Inp	2838.00		NIST
Inp	2828.00		NIST
I	[3058.00; 3062.00]
I	3058.00		NIST
I	3062.00		NIST
I	3058.00		NIST
Tboil	910.04	K	Joback Calculated Property
Tc	1115.64	K	Joback Calculated Property
Tfus	313.62	K	Joback Calculated Property
Vc	1.601	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1321.66; 1455.02]	J/mol×K	[910.04; 1115.64]
Cp,gas	1321.66	J/mol×K	910.04	Joback Calculated Property
Cp,gas	1345.18	J/mol×K	944.31	Joback Calculated Property
Cp,gas	1367.98	J/mol×K	978.57	Joback Calculated Property
Cp,gas	1390.21	J/mol×K	1012.84	Joback Calculated Property
Cp,gas	1412.03	J/mol×K	1047.11	Joback Calculated Property
Cp,gas	1433.58	J/mol×K	1081.37	Joback Calculated Property
Cp,gas	1455.02	J/mol×K	1115.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Supraene.

Sources

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

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