Chemical Properties of Pentacyclo[6.3.1.0(2,7).0(3,5).0(9,11)]dodecane (CAS 82110-70-1)

InChI

InChI=1S/C12H16/c1-5-2-10-9-4-11(8-3-7(8)9)12(10)6(1)5/h5-12H,1-4H2

InChI Key

CUEVXBHHOPVSBW-UHFFFAOYSA-N

Formula

C12H16

SMILES

C1C2C3CC(C12)C1C2CC2CC31

Molecular Weight¹

160.26

CAS

82110-70-1

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• 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
ΔcH°liquid	-7136.30 ± 3.90	kJ/mol	NIST
ΔfG°	367.08	kJ/mol	Joback Calculated Property
ΔfH°gas	185.50	kJ/mol	NIST
ΔfH°liquid	127.50 ± 3.90	kJ/mol	NIST
ΔfusH°	27.02	kJ/mol	Joback Calculated Property
ΔvapH°	[58.00; 58.00]	kJ/mol
ΔvapH°	58.00	kJ/mol	NIST
ΔvapH°	58.00	kJ/mol	NIST
log10WS	-2.39		Crippen Calculated Property
logPoct/wat	2.544		Crippen Calculated Property
McVol	125.640	ml/mol	McGowan Calculated Property
Pc	2787.66	kPa	Joback Calculated Property
Tboil	480.84	K	Joback Calculated Property
Tc	689.03	K	Joback Calculated Property
Tfus	312.54	K	Joback Calculated Property
Vc	0.513	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[339.00; 445.62]	J/mol×K	[480.84; 689.03]
Cp,gas	339.00	J/mol×K	480.84	Joback Calculated Property
Cp,gas	360.60	J/mol×K	515.54	Joback Calculated Property
Cp,gas	380.45	J/mol×K	550.24	Joback Calculated Property
Cp,gas	398.72	J/mol×K	584.94	Joback Calculated Property
Cp,gas	415.57	J/mol×K	619.63	Joback Calculated Property
Cp,gas	431.15	J/mol×K	654.33	Joback Calculated Property
Cp,gas	445.62	J/mol×K	689.03	Joback Calculated Property
η	[0.0006245; 0.0105226]	Pa×s	[312.54; 480.84]
η	0.0006245	Pa×s	312.54	Joback Calculated Property
η	0.0012137	Pa×s	340.59	Joback Calculated Property
η	0.0021322	Pa×s	368.64	Joback Calculated Property
η	0.0034587	Pa×s	396.69	Joback Calculated Property
η	0.0052633	Pa×s	424.74	Joback Calculated Property
η	0.0076034	Pa×s	452.79	Joback Calculated Property
η	0.0105226	Pa×s	480.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentacyclo[6.3.1.0(2,7).0(3,5).0(9,11)]dodecane.

Sources

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

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