Chemical Properties of 3-Methylhentriacontane (CAS 4981-99-1)

InChI

InChI=1S/C32H66/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(3)5-2/h32H,4-31H2,1-3H3

InChI Key

FYHMQCYBOCSFQS-UHFFFAOYSA-N

Formula

C32H66

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CC

Molecular Weight¹

450.87

CAS

4981-99-1

Other Names

• Hentriacontane, 3-methyl

• 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_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.
• 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°	216.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-709.09	kJ/mol	Joback Calculated Property
ΔfusH°	75.11	kJ/mol	Joback Calculated Property
ΔvapH°	86.44	kJ/mol	Joback Calculated Property
log10WS	-12.98		Crippen Calculated Property
logPoct/wat	12.585		Crippen Calculated Property
McVol	461.740	ml/mol	McGowan Calculated Property
Pc	545.39	kPa	Joback Calculated Property
Inp	[3165.00; 3175.00]
Inp	3173.00		NIST
Inp	3172.00		NIST
Inp	3172.00		NIST
Inp	3172.00		NIST
Inp	3169.70		NIST
Inp	3175.00		NIST
Inp	3174.00		NIST
Inp	Outlier 3165.00		NIST
Inp	Outlier 3165.00		NIST
Inp	3168.00		NIST
Inp	3167.00		NIST
Inp	3172.00		NIST
Inp	3174.00		NIST
Inp	3175.00		NIST
Inp	3172.00		NIST
Inp	3173.00		NIST
Inp	3174.00		NIST
Inp	3169.70		NIST
Tboil	931.12	K	Joback Calculated Property
Tc	1155.67	K	Joback Calculated Property
Tfus	435.40	K	Joback Calculated Property
Vc	1.821	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1618.39; 1768.88]	J/mol×K	[931.12; 1155.67]
Cp,gas	1618.39	J/mol×K	931.12	Joback Calculated Property
Cp,gas	1647.62	J/mol×K	968.55	Joback Calculated Property
Cp,gas	1675.03	J/mol×K	1005.97	Joback Calculated Property
Cp,gas	1700.75	J/mol×K	1043.40	Joback Calculated Property
Cp,gas	1724.89	J/mol×K	1080.82	Joback Calculated Property
Cp,gas	1747.56	J/mol×K	1118.25	Joback Calculated Property
Cp,gas	1768.88	J/mol×K	1155.67	Joback Calculated Property
η	[0.0000163; 0.0009952]	Pa×s	[435.40; 931.12]
η	0.0009952	Pa×s	435.40	Joback Calculated Property
η	0.0002905	Pa×s	518.02	Joback Calculated Property
η	0.0001190	Pa×s	600.64	Joback Calculated Property
η	0.0000605	Pa×s	683.26	Joback Calculated Property
η	0.0000356	Pa×s	765.88	Joback Calculated Property
η	0.0000232	Pa×s	848.50	Joback Calculated Property
η	0.0000163	Pa×s	931.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylhentriacontane.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.