Chemical Properties of 1,1-Dicyclohexyldodecane (CAS 18254-57-4)

InChI

InChI=1S/C24H46/c1-2-3-4-5-6-7-8-9-16-21-24(22-17-12-10-13-18-22)23-19-14-11-15-20-23/h22-24H,2-21H2,1H3

InChI Key

ZNUYDMONISMCKK-UHFFFAOYSA-N

Formula

C24H46

SMILES

CCCCCCCCCCCC(C1CCCCC1)C1CCCCC1

Molecular Weight¹

334.62

CAS

18254-57-4

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7388		Relay (1.0) Calculated Property
ΔfG°	197.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-426.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.06	kJ/mol	Joback Calculated Property
ΔvapH°	106.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.52	eV	Relay (1.0) Calculated Property
log10WS	-8.92		Relay (1.0) Calculated Property
logPoct/wat	8.684		Crippen Calculated Property
McVol	327.300	ml/mol	McGowan Calculated Property
Pc	1037.90	kPa	Joback Calculated Property
S°solid,1 bar	[545.60; 545.70]	J/mol×K
S°solid,1 bar	545.70	J/mol×K	NIST
S°solid,1 bar	545.60	J/mol×K	NIST
Tboil	656.17	K	Relay (1.0) Calculated Property
Tc	854.19	K	Relay (1.0) Calculated Property
Tfus	281.57	K	Relay (1.0) Calculated Property
Ttriple	[300.58; 300.60]	K
Ttriple	300.58 ± 0.02	K	NIST
Ttriple	300.60 ± 0.20	K	NIST
Ttriple	300.58 ± 0.02	K	NIST
Ttriple	300.60 ± 0.20	K	NIST
Vc	1.205	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[562.60; 562.70]	J/mol×K	[298.15; 298.15]
Cp,solid	562.60	J/mol×K	298.15	NIST
Cp,solid	562.70	J/mol×K	298.15	NIST
ΔfusH	[44.27; 44.35]	kJ/mol	[300.58; 300.60]
ΔfusH	44.27	kJ/mol	300.58	NIST
ΔfusH	44.27	kJ/mol	300.58	NIST
ΔfusH	44.27	kJ/mol	300.60	NIST
ΔfusH	44.35	kJ/mol	300.60	NIST
ΔfusH	44.27	kJ/mol	300.60	NIST
ΔfusS	[147.30; 147.30]	J/mol×K	[300.58; 300.60]
ΔfusS	147.30	J/mol×K	300.58	NIST
ΔfusS	147.30	J/mol×K	300.58	NIST
ΔfusS	147.30	J/mol×K	300.60	NIST
ΔfusS	147.30	J/mol×K	300.60	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[438.06; 1228.20]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.51820e+02
Coefficient B			2.53392e+00
Coefficient C			-1.44700e-03
Coefficient D			2.93100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	438.06	J/mol×K	273.00	Calculated Property
Cp,gas	576.50	J/mol×K	353.78	Calculated Property
Cp,gas	700.11	J/mol×K	434.56	Calculated Property
Cp,gas	809.83	J/mol×K	515.33	Calculated Property
Cp,gas	906.58	J/mol×K	596.11	Calculated Property
Cp,gas	991.28	J/mol×K	676.89	Calculated Property
Cp,gas	1064.87	J/mol×K	757.67	Calculated Property
Cp,gas	1128.26	J/mol×K	838.44	Calculated Property
Cp,gas	1182.40	J/mol×K	919.22	Calculated Property
Cp,gas	1228.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042798; 0.0000956]	Pa×s	[360.00; 691.03]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.33890e+01
Coefficient B			2.85664e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			360.00
Temperature range, max.			691.03
η	0.0042798	Pa×s	360.00	Calculated Property
η	0.0020510	Pa×s	396.78	Calculated Property
η	0.0011135	Pa×s	433.56	Calculated Property
η	0.0006652	Pa×s	470.34	Calculated Property
η	0.0004282	Pa×s	507.13	Calculated Property
η	0.0002925	Pa×s	543.91	Calculated Property
η	0.0002098	Pa×s	580.69	Calculated Property
η	0.0001565	Pa×s	617.47	Calculated Property
η	0.0001206	Pa×s	654.25	Calculated Property
η	0.0000956	Pa×s	691.03	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[493.12; 735.31]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.29543e+01
Coefficient B			-4.66701e+03
Coefficient C			-1.24672e+02
Temperature range, min.			493.12
Temperature range, max.			735.31
Pvap	1.33	kPa	493.12	Calculated Property
Pvap	3.16	kPa	520.03	Calculated Property
Pvap	6.70	kPa	546.94	Calculated Property
Pvap	12.99	kPa	573.85	Calculated Property
Pvap	23.37	kPa	600.76	Calculated Property
Pvap	39.48	kPa	627.67	Calculated Property
Pvap	63.25	kPa	654.58	Calculated Property
Pvap	96.80	kPa	681.49	Calculated Property
Pvap	142.46	kPa	708.40	Calculated Property
Pvap	202.64	kPa	735.31	Calculated Property

Similar Compounds

Find more compounds similar to 1,1-Dicyclohexyldodecane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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