Chemical Properties of Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethylhexane (CAS 62678-54-0)

InChI

InChI=1S/C22H38/c1-21(2,3)19(17-13-9-7-10-14-17)20(22(4,5)6)18-15-11-8-12-16-18/h13,15,19-20H,7-12,14,16H2,1-6H3/t19-,20+

InChI Key

XIRWMTOAKDZMDH-BGYRXZFFSA-N

Formula

C22H38

SMILES

CC(C)(C)[C@H](C1=CCCCC1)[C@H](C1=CCCCC1)C(C)(C)C

Molecular Weight¹

302.55

CAS

62678-54-0

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation 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).
• 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°solid	-13726.30 ± 4.40	kJ/mol	NIST
ΔfH°gas	-244.00 ± 5.00	kJ/mol	NIST
ΔfH°solid	-361.70	kJ/mol	NIST
ΔfusH°	14.06	kJ/mol	Joback Calculated Property
ΔsubH°	[117.20; 117.70]	kJ/mol
ΔsubH°	117.20 ± 2.40	kJ/mol	NIST
ΔsubH°	117.70	kJ/mol	NIST
ΔvapH°	82.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
log10WS	-7.34		Relay (1.0) Calculated Property
logPoct/wat	7.312		Crippen Calculated Property
McVol	290.520	ml/mol	McGowan Calculated Property
Pc	1314.65	kPa	Joback Calculated Property
Tboil	613.14	K	Relay (1.0) Calculated Property
Tc	835.51	K	Relay (1.0) Calculated Property
Tfus	298.57	K	Relay (1.0) Calculated Property
Vc	1.057	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[380.02; 1046.49]	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			-1.68350e+02
Coefficient B			2.42352e+00
Coefficient C			-1.63628e-03
Coefficient D			4.27600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	380.02	J/mol×K	273.00	Calculated Property
Cp,gas	503.18	J/mol×K	353.78	Calculated Property
Cp,gas	610.90	J/mol×K	434.56	Calculated Property
Cp,gas	704.55	J/mol×K	515.33	Calculated Property
Cp,gas	785.46	J/mol×K	596.11	Calculated Property
Cp,gas	855.01	J/mol×K	676.89	Calculated Property
Cp,gas	914.53	J/mol×K	757.67	Calculated Property
Cp,gas	965.38	J/mol×K	838.44	Calculated Property
Cp,gas	1008.92	J/mol×K	919.22	Calculated Property
Cp,gas	1046.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043924; 0.0000525]	Pa×s	[362.34; 688.04]	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			-1.47798e+01
Coefficient B			3.38856e+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.			362.34
Temperature range, max.			688.04
η	0.0043924	Pa×s	362.34	Calculated Property
η	0.0018788	Pa×s	398.53	Calculated Property
η	0.0009257	Pa×s	434.72	Calculated Property
η	0.0005085	Pa×s	470.91	Calculated Property
η	0.0003043	Pa×s	507.10	Calculated Property
η	0.0001950	Pa×s	543.29	Calculated Property
η	0.0001321	Pa×s	579.48	Calculated Property
η	0.0000937	Pa×s	615.67	Calculated Property
η	0.0000690	Pa×s	651.85	Calculated Property
η	0.0000525	Pa×s	688.04	Calculated Property

Similar Compounds

Find more compounds similar to Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethylhexane.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.