Chemical Properties of 4-Heptanol, 2,4,6-trimethyl- (CAS 60836-07-9)

InChI

InChI=1S/C10H22O/c1-8(2)6-10(5,11)7-9(3)4/h8-9,11H,6-7H2,1-5H3

InChI Key

QSVYJSJPLCSACO-UHFFFAOYSA-N

Formula

C10H22O

SMILES

CC(C)CC(C)(O)CC(C)C

Molecular Weight¹

158.28

CAS

60836-07-9

Other Names

• 2,4,6-Trimethyl-4-heptanol

• ω : Acentric Factor.
• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[384.00; 462.55]	J/mol×K	[516.27; 689.38]
Cp,gas	384.00	J/mol×K	516.27	Joback Calculated Property
Cp,gas	398.75	J/mol×K	545.12	Joback Calculated Property
Cp,gas	412.80	J/mol×K	573.97	Joback Calculated Property
Cp,gas	426.18	J/mol×K	602.82	Joback Calculated Property
Cp,gas	438.91	J/mol×K	631.67	Joback Calculated Property
Cp,gas	451.03	J/mol×K	660.53	Joback Calculated Property
Cp,gas	462.55	J/mol×K	689.38	Joback Calculated Property
η	[0.0001075; 0.2106679]	Pa×s	[235.70; 516.27]
η	0.2106679	Pa×s	235.70	Joback Calculated Property
η	0.0209261	Pa×s	282.46	Joback Calculated Property
η	0.0040057	Pa×s	329.22	Joback Calculated Property
η	0.0011568	Pa×s	375.99	Joback Calculated Property
η	0.0004397	Pa×s	422.75	Joback Calculated Property
η	0.0002027	Pa×s	469.51	Joback Calculated Property
η	0.0001075	Pa×s	516.27	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[351.12; 479.40]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.64121e+01
Coefficient B			-4.57030e+03
Coefficient C			-6.76820e+01
Temperature range, min.			351.12
Temperature range, max.			479.40
Pvap	1.33	kPa	351.12	Calculated Property
Pvap	2.89	kPa	365.37	Calculated Property
Pvap	5.82	kPa	379.63	Calculated Property
Pvap	11.04	kPa	393.88	Calculated Property
Pvap	19.84	kPa	408.13	Calculated Property
Pvap	34.03	kPa	422.39	Calculated Property
Pvap	55.98	kPa	436.64	Calculated Property
Pvap	88.75	kPa	450.89	Calculated Property
Pvap	136.11	kPa	465.15	Calculated Property
Pvap	202.66	kPa	479.40	Calculated Property

Similar Compounds

Find more compounds similar to 4-Heptanol, 2,4,6-trimethyl-.

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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