Chemical Properties of C34 17A,21B,22S-Hopane

InChI

InChI=1S/C34H60/c1-9-10-11-13-24(2)25-16-21-31(5)26(25)17-22-33(7)28(31)14-15-29-32(6)20-12-19-30(3,4)27(32)18-23-34(29,33)8/h24-29H,9-23H2,1-8H3/t24?,25-,26?,27?,28?,29?,31-,32?,33?,34?/m1/s1

InChI Key

BFOUVXJORMEENT-ZXHLYZCYSA-N

Formula

C34H60

SMILES

CCCCCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C

Molecular Weight¹

468.84

• 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	0.6421		Relay (1.0) Calculated Property
ΔfG°	398.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-462.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.23	kJ/mol	Joback Calculated Property
ΔvapH°	135.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-9.56		Relay (1.0) Calculated Property
logPoct/wat	10.694		Crippen Calculated Property
McVol	435.620	ml/mol	McGowan Calculated Property
Pc	765.64	kPa	Joback Calculated Property
Inp	[3507.00; 3507.00]
Inp	3507.00		NIST
Inp	3507.00		NIST
Tboil	715.75	K	Relay (1.0) Calculated Property
Tc	1007.09	K	Relay (1.0) Calculated Property
Tfus	407.65	K	Relay (1.0) Calculated Property
Vc	1.616	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1772.68; 2204.43]	J/mol×K	[1014.05; 1252.75]
Cp,gas	1772.68	J/mol×K	1014.05	Joback Calculated Property
Cp,gas	1830.40	J/mol×K	1053.83	Joback Calculated Property
Cp,gas	1892.78	J/mol×K	1093.62	Joback Calculated Property
Cp,gas	1960.59	J/mol×K	1133.40	Joback Calculated Property
Cp,gas	2034.62	J/mol×K	1173.18	Joback Calculated Property
Cp,gas	2115.64	J/mol×K	1212.96	Joback Calculated Property
Cp,gas	2204.43	J/mol×K	1252.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to C34 17A,21B,22S-Hopane.

Sources

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

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