Chemical Properties of 1,2-Tetradecanediol (CAS 21129-09-9)

InChI

InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h14-16H,2-13H2,1H3

InChI Key

DWANEFRJKWXRSG-UHFFFAOYSA-N

Formula

C14H30O2

SMILES

CCCCCCCCCCCCC(O)CO

Molecular Weight¹

230.39

CAS

21129-09-9

Other Names

• Tetradecane-1,2-diol

• 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).
• 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
ω	1.0158		Relay (1.0) Calculated Property
ΔfG°	-209.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-646.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.67	kJ/mol	Joback Calculated Property
ΔvapH°	121.03	kJ/mol	Relay (1.0) Calculated Property
IE	10.05	eV	Relay (1.0) Calculated Property
log10WS	-4.38		Relay (1.0) Calculated Property
logPoct/wat	3.651		Crippen Calculated Property
McVol	219.860	ml/mol	McGowan Calculated Property
Pc	1780.34	kPa	Joback Calculated Property
Inp	[1826.00; 1826.00]
Inp	1826.00		NIST
Inp	1826.00		NIST
Tboil	599.04	K	Relay (1.0) Calculated Property
Tc	777.14	K	Relay (1.0) Calculated Property
Tfus	341.40 ± 0.30	K	NIST
Vc	0.848	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[653.40; 730.88]	J/mol×K	[703.64; 867.75]
Cp,gas	653.40	J/mol×K	703.64	Joback Calculated Property
Cp,gas	667.81	J/mol×K	730.99	Joback Calculated Property
Cp,gas	681.60	J/mol×K	758.34	Joback Calculated Property
Cp,gas	694.77	J/mol×K	785.70	Joback Calculated Property
Cp,gas	707.37	J/mol×K	813.05	Joback Calculated Property
Cp,gas	719.40	J/mol×K	840.40	Joback Calculated Property
Cp,gas	730.88	J/mol×K	867.75	Joback Calculated Property
η	[0.0000097; 0.0125163]	Pa×s	[354.18; 703.64]
η	0.0125163	Pa×s	354.18	Joback Calculated Property
η	0.0016343	Pa×s	412.42	Joback Calculated Property
η	0.0003532	Pa×s	470.67	Joback Calculated Property
η	0.0001070	Pa×s	528.91	Joback Calculated Property
η	0.0000411	Pa×s	587.15	Joback Calculated Property
η	0.0000187	Pa×s	645.40	Joback Calculated Property
η	0.0000097	Pa×s	703.64	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[474.32; 589.05]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.12424e+01
Coefficient B			-7.62392e+03
Coefficient C			-1.10494e+02
Temperature range, min.			474.32
Temperature range, max.			589.05
Pvap	1.33	kPa	474.32	Calculated Property
Pvap	2.71	kPa	487.07	Calculated Property
Pvap	5.26	kPa	499.82	Calculated Property
Pvap	9.78	kPa	512.56	Calculated Property
Pvap	17.52	kPa	525.31	Calculated Property
Pvap	30.31	kPa	538.06	Calculated Property
Pvap	50.79	kPa	550.81	Calculated Property
Pvap	82.67	kPa	563.55	Calculated Property
Pvap	131.02	kPa	576.30	Calculated Property
Pvap	202.62	kPa	589.05	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Tetradecanediol.

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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